Geometry & MOs

Info

ID:	312357
PubChem CID:	126604404
Reduced:	N3H25C26 (1)
Stoich.:	A3B25C26 (1)
Weight, g/mol:	548.319149
ΔH_f, kcal/mol:	127.49
Dipole, Da:	7.17
IP(EA), eV:	-9.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-[4-(1,2,4b,8a-tetrahydrocarbazol-9-yl)-2-methylphenyl]-3-methylphenyl]-2-ethyl-3,4,4b,8a-tetrahydrocarbazole

Drug info:

PubChemData

Smile

CC(C/C=C(\C)/C1=NN=C(N1C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4)C=C

DOS

IR

Vibrations