Geometry & MOs

Info

ID:	266971
PubChem CID:	103580266
Reduced:	BrClSN2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	302.9774
ΔH_f, kcal/mol:	9.3
Dipole, Da:	1.15
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-3-chloropyridin-2-yl)amino]-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(CCSC)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations