Geometry & MOs

Info

ID:	297652
PubChem CID:	117624819
Reduced:	O4C17H22 (1)
Stoich.:	A4B17C22 (1)
Weight, g/mol:	627.242296
ΔH_f, kcal/mol:	-141.35
Dipole, Da:	2.74
IP(EA), eV:	-8.85(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-[4-[4-(N-(4-cyanophenyl)anilino)carbazol-9-yl]phenyl]anilino)benzonitrile

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCOC1=CC=C(C=C1)C(=C)C(C)(C)O

DOS

IR

Vibrations