Geometry & MOs

Info

ID:	5335
PubChem CID:	12990
Reduced:	OC6H10 (1)
Stoich.:	AB6C10 (1)
Weight, g/mol:	98.073165
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	3.33
IP(EA), eV:	-10.06(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-3-en-2-one

Drug info:

PubChemData

Smile

CCC=CC(=O)C

DOS

IR

Vibrations