Geometry & MOs

Info

ID:	287767
PubChem CID:	104294115
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	8.34
IP(EA), eV:	-10.25(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(bromomethyl)phenyl]-3-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCC(CC)(CCl)NC(=O)C1=CC(=CC(=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations