Geometry & MOs

Info

ID:	367665
PubChem CID:	127325194
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	4.11
IP(EA), eV:	-8.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)CCN3C(=C(SC3=O)C)C

DOS

IR

Vibrations