Geometry & MOs

Info

ID:	314776
PubChem CID:	126623044
Reduced:	BrClON3C10H13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	304.99305
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	7.79
IP(EA), eV:	-9.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromopyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)NC2=NC(=CC=C2)Br.Cl

DOS

IR

Vibrations