Geometry & MOs

Info

ID:	24426
PubChem CID:	610172
Reduced:	ClNOBr2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	340.86407
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	1.75
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-bromo-2-chlorophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)Cl)NC(=O)CCBr

DOS

IR

Vibrations