Geometry & MOs

Info

ID:	22277
PubChem CID:	596507
Reduced:	IN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	381.98144
ΔH_f, kcal/mol:	11.37
Dipole, Da:	5.56
IP(EA), eV:	-9.26(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-iodophenyl)-4-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2I)[N+](=O)[O-]

DOS

IR

Vibrations