Geometry & MOs

Info

ID:	272877
PubChem CID:	103763319
Reduced:	BrClNO3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	346.00837
ΔH_f, kcal/mol:	-83.76
Dipole, Da:	4.33
IP(EA), eV:	-9.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)Br

DOS

IR

Vibrations