Geometry & MOs

Info

ID:	307927
PubChem CID:	125310779
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-70.44
Dipole, Da:	4.59
IP(EA), eV:	-9.81(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetyl-4,5,6-trimethyl-3H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)[C@H]1C(=O)C)C)C

DOS

IR

Vibrations