Geometry & MOs

Info

ID:	22523
PubChem CID:	597418
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	7.85
IP(EA), eV:	-8.97(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-2,6-dimethylpyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C=C(N1CCO)C

DOS

IR

Vibrations