Geometry & MOs

Info

ID:	367679
PubChem CID:	127325387
Reduced:	SO2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	8.01
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-benzylpiperidine-1-carbonyl)-1-methyl-6-(1-methylpyrazol-4-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=O)N1CCC(=O)N2CCN(CC2)CC3=NC=CN3C)C

DOS

IR

Vibrations