Geometry & MOs

Info

ID:	428389
PubChem CID:	135167183
Reduced:	N3H47C73 (1)
Stoich.:	A3B47C73 (1)
Weight, g/mol:	916.38175
ΔH_f, kcal/mol:	329.51
Dipole, Da:	1.7
IP(EA), eV:	-8.1(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,9-dimethyl-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]-4'-ylphenyl)fluoren-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

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=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

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=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2)C1=CC=C(C=C1)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):