Geometry & MOs

Info

ID:	329109
PubChem CID:	126731275
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-17.65
Dipole, Da:	10.33
IP(EA), eV:	-8.95(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(2-hydroxypropan-2-yl)-1-methylpyridin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C(=CN1)C(C)N2C=NC=N2)O

DOS

IR

Vibrations