Geometry & MOs

Info

ID:	272223
PubChem CID:	103736013
Reduced:	ClION2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	395.95264
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	1.74
IP(EA), eV:	-8.62(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(5-cyano-2-methylphenyl)-4-iodobenzamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)CNC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations