Geometry & MOs

Info

ID:	367514
PubChem CID:	127324851
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	8.69
IP(EA), eV:	-8.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(1-methylpyrazol-4-yl)-6-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N(C)C2CCN(CC2)C(=O)C3=CC4=C(CCCC4=O)NC3=O

DOS

IR

Vibrations