Geometry & MOs

Info

ID:	140342
PubChem CID:	52685330
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	434.268176
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	6.43
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)CC2=CC=C(C=C2)CNC(=O)CCC3=CC=CC=C3O)C

DOS

IR

Vibrations