Geometry & MOs

Info

ID:	428367
PubChem CID:	135167137
Reduced:	NH26C42 (2)
Stoich.:	AB26C42 (2)
Weight, g/mol:	1090.4287
ΔH_f, kcal/mol:	370.11
Dipole, Da:	0.99
IP(EA), eV:	-8.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylnaphthalen-1-yl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=C(C2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=C(C2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC5=C(C=C4)C6=CC=CC=C6C57C8=CC=CC=C8C9=CC=CC=C79)C1=CC=C(C2=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):