Geometry & MOs

Info

ID:	277095
PubChem CID:	103826687
Reduced:	BrClNOC13H15 (1)
Stoich.:	ABCDE13F15 (1)
Weight, g/mol:	358.00837
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	4.13
IP(EA), eV:	-9.74(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations