Geometry & MOs

Info

ID:	2498
PubChem CID:	7754
Reduced:	OC7H14 (1)
Stoich.:	AB7C14 (1)
Weight, g/mol:	114.104465
ΔH_f, kcal/mol:	-73.48
Dipole, Da:	3.28
IP(EA), eV:	-10.04(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylhexan-2-one

Drug info:

PubChemData

Smile

CCC(C)CC(=O)C

DOS

IR

Vibrations