Geometry & MOs

Info

ID:	269707
PubChem CID:	103618714
Reduced:	ClIN2O3H10C14 (1)
Stoich.:	ABC2D3E10F14 (1)
Weight, g/mol:	395.99709
ΔH_f, kcal/mol:	11.69
Dipole, Da:	5.9
IP(EA), eV:	-9.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-[(2-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=C(C=CC(=C2)Cl)I)[N+](=O)[O-]

DOS

IR

Vibrations