Geometry & MOs

Info

ID:	279205
PubChem CID:	103842027
Reduced:	BrNOCl2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	325.98215
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	2.77
IP(EA), eV:	-9.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-chloro-N-(2-cyanoethyl)-N-cyclopropylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations