Geometry & MOs

Info

ID:	316226
PubChem CID:	126630418
Reduced:	N3H33C49 (1)
Stoich.:	A3B33C49 (1)
Weight, g/mol:	763.298748
ΔH_f, kcal/mol:	220.34
Dipole, Da:	0.63
IP(EA), eV:	-8.15(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[9-methyl-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-4-yl]-5-phenylbenzo[b]carbazole

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC=CC5=C4N(C6=C5C=CC=C6C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations