Geometry & MOs

Info

ID:	279279
PubChem CID:	103842789
Reduced:	BrClO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	271.9352
ΔH_f, kcal/mol:	-79.97
Dipole, Da:	1.71
IP(EA), eV:	-9.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(cyanomethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations