Geometry & MOs

Info

ID:	367517
PubChem CID:	127324868
Reduced:	ClO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-86.94
Dipole, Da:	4.31
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)NC2CCN3C2CCCC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations