Geometry & MOs

Info

ID:	215797
PubChem CID:	85085266
Reduced:	NOSC5H9 (1)
Stoich.:	ABCD5E9 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-29.21
Dipole, Da:	2.07
IP(EA), eV:	-8.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxyocta-2,6-dien-4-one

Drug info:

PubChemData

Smile

CNC(=O)C=CSC

DOS

IR

Vibrations