Geometry & MOs

Info

ID:	271350
PubChem CID:	103655752
Reduced:	BrION2C12H12 (1)
Stoich.:	ABCD2E12F12 (1)
Weight, g/mol:	354.93593
ΔH_f, kcal/mol:	17.84
Dipole, Da:	4.2
IP(EA), eV:	-9.83(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)-2-chloro-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C#N)NC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations