Geometry & MOs

Info

ID:	270968
PubChem CID:	103639026
Reduced:	BrON2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	333.9953
ΔH_f, kcal/mol:	34.27
Dipole, Da:	3.25
IP(EA), eV:	-9.45(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations