Geometry & MOs

Info

ID:	264096
PubChem CID:	103427871
Reduced:	NOCl2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	414.90277
ΔH_f, kcal/mol:	-26.5
Dipole, Da:	3.32
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dichloro-1H-indol-3-yl)-(3-iodophenyl)methanone

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)C(=O)C2=CNC3=C2C(=CC(=C3)Cl)Cl)C

DOS

IR

Vibrations