Geometry & MOs

Info

ID:	275928
PubChem CID:	103819219
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	354.93593
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	3.35
IP(EA), eV:	-9.19(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-3-chloro-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=C(N=CC=C1)Br)C(C)(C)C

DOS

IR

Vibrations