Geometry & MOs

Info

ID:	316665
PubChem CID:	126631442
Reduced:	N2H32C45 (1)
Stoich.:	A2B32C45 (1)
Weight, g/mol:	524.225249
ΔH_f, kcal/mol:	188.6
Dipole, Da:	1.34
IP(EA), eV:	-7.93(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(5-naphthalen-2-ylbenzo[b]carbazol-2-yl)-N-phenylaniline

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C81

DOS

IR

Vibrations