Geometry & MOs

Info

ID:	355034
PubChem CID:	127287895
Reduced:	BrO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	350.114568
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	7.34
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-1-[(2R)-5-oxopyrrolidine-2-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)[C@H]2CCC(=O)N2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations