Geometry & MOs

Info

ID:	378250
PubChem CID:	134224326
Reduced:	N3H23C31 (1)
Stoich.:	A3B23C31 (1)
Weight, g/mol:	806.315795
ΔH_f, kcal/mol:	142.32
Dipole, Da:	2.81
IP(EA), eV:	-8.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(6-aminocyclohexa-2,4-dien-1-yl)phenyl]methyl]-2,5,6-tri(carbazol-9-yl)benzene-1,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=NC=CC(=N6)C7=CC=CC=C7)C

DOS

IR

Vibrations