Geometry & MOs

Info

ID:	44097
PubChem CID:	10500687
Reduced:	ClNO4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	391.112777
ΔH_f, kcal/mol:	19.31
Dipole, Da:	13.09
IP(EA), eV:	-9.9(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorophenyl)-11-phenyl-6H-isoindolo[2,1-a]indole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C(C)(C)C)C)C.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations