Geometry & MOs

Info

ID:	277177
PubChem CID:	103827164
Reduced:	BrClON3H11C12 (1)
Stoich.:	ABCD3E11F12 (1)
Weight, g/mol:	299.9665
ΔH_f, kcal/mol:	11.79
Dipole, Da:	1.76
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(2-cyanopropyl)benzamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CN1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations