Geometry & MOs

Info

ID:	264384
PubChem CID:	103458476
Reduced:	O2C9H16 (1)
Stoich.:	A2B9C16 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-88.99
Dipole, Da:	3.4
IP(EA), eV:	-9.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-hydroxy-1-(4-methoxy-3,5-dimethylpyridin-2-yl)hexan-2-one

Drug info:

PubChemData

Smile

CCC(CC)C(C(=O)C=C)O

DOS

IR

Vibrations