Geometry & MOs

Info

ID:	266957
PubChem CID:	103580211
Reduced:	BrClSN3H9C10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	302.9774
ΔH_f, kcal/mol:	55.07
Dipole, Da:	1.48
IP(EA), eV:	-8.92(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations