Geometry & MOs

Info

ID:	9127
PubChem CID:	86379
Reduced:	NO3C9H13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	183.089543
ΔH_f, kcal/mol:	-111.54
Dipole, Da:	6.03
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3-hydroxy-1-(2-hydroxyethyl)pyridin-4-one

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C=CN1CCO)O

DOS

IR

Vibrations