Geometry & MOs

Info

ID:	319544
PubChem CID:	126656588
Reduced:	ON2H32C38 (1)
Stoich.:	AB2C32D38 (1)
Weight, g/mol:	608.282764
ΔH_f, kcal/mol:	124.98
Dipole, Da:	2.08
IP(EA), eV:	-8.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6b-methyl-N-(4-methyl-4-phenylcyclohexa-1,5-dien-1-yl)-N,12-diphenyl-10aH-[1]benzofuro[2,3-a]carbazol-5-amine

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C5C3(C6=CC=CC=C6N5C7=CC=CC=C7)C)OC8=CC=CC=C84

DOS

IR

Vibrations