Geometry & MOs

Info

ID:	441104
PubChem CID:	135233129
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-243.94
Dipole, Da:	2.67
IP(EA), eV:	-8.97(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyl-6-hex-5-en-2-yl-4-hydroxypyran-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C)(C)C(=O)C2=C(C=C(OC2=O)CCC/C=C/NC(=O)OC)O

DOS

IR

Vibrations