Geometry & MOs

Info

ID:	298420
PubChem CID:	117649392
Reduced:	O2N3H35C50 (1)
Stoich.:	A2B3C35D50 (1)
Weight, g/mol:	663.267448
ΔH_f, kcal/mol:	143.33
Dipole, Da:	3.82
IP(EA), eV:	-7.88(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[9-(4-methylphenyl)carbazol-2-yl]-9-(9-phenylcarbazol-2-yl)carbazole

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C3=C2C=CC(=C3)C4=CC5=C(C=C4)C6=C(N5C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CC=CC=C1)C=CC(=C6)OC)C1=CC=CC=C1

DOS

IR

Vibrations