Geometry & MOs

Info

ID:	316605
PubChem CID:	126631308
Reduced:	N2H34C47 (1)
Stoich.:	A2B34C47 (1)
Weight, g/mol:	626.272199
ΔH_f, kcal/mol:	195.06
Dipole, Da:	2.69
IP(EA), eV:	-8.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(5-methylbenzo[b]carbazol-1-yl)phenyl]phenyl]-N,4-diphenylaniline

Drug info:

PubChemData

Smile

CN1C2=C(C3=C1C=C(C=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9C=C2

DOS

IR

Vibrations