Geometry & MOs

Info

ID:	311692
PubChem CID:	126596880
Reduced:	O2N3H21C38 (1)
Stoich.:	A2B3C21D38 (1)
Weight, g/mol:	442.15037
ΔH_f, kcal/mol:	225.89
Dipole, Da:	5.52
IP(EA), eV:	-8.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-dibenzothiophen-2-ylphenyl)-4b,8a-dihydrocarbazol-4-amine

Drug info:

PubChemData

Smile

C1C(C=CC2=C1C3=C(O2)C=C4C(=C3)OC5=C4C=C(C=C5)C6=CC=CC(=C6N7C8=CC=CC=C8C9=CC=CC=C97)C#N)C#N

DOS

IR

Vibrations