Geometry & MOs

Info

ID:	5615
PubChem CID:	13400
Reduced:	OC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	3.74
IP(EA), eV:	-10.02(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC(=O)C1CCCCC1=O

DOS

IR

Vibrations