Geometry & MOs

Info

ID:	429107
PubChem CID:	135168894
Reduced:	NH24C39 (2)
Stoich.:	AB24C39 (2)
Weight, g/mol:	1014.3974
ΔH_f, kcal/mol:	347.94
Dipole, Da:	0.68
IP(EA), eV:	-8.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-diphenyl-N-(3-phenylphenyl)-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-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=C(C1=CC=CC=C19)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=C(C=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=C(C1=CC=CC=C19)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=C(C=C2)N(C3=CC=CC4=C3C5=CC=CC=C5C46C7=CC=CC=C7C8=CC=CC=C68)C9=CC=C(C1=CC=CC=C19)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):