Geometry & MOs

Info

ID:	371064
PubChem CID:	127342258
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-3.04
Dipole, Da:	1.47
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-oxo-1-phenylpyrrolidin-3-yl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4O3

DOS

IR

Vibrations