Geometry & MOs

Info

ID:	4873
PubChem CID:	12210
Reduced:	OC8H16 (1)
Stoich.:	AB8C16 (1)
Weight, g/mol:	128.120115
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	3.04
IP(EA), eV:	-9.93(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylheptan-3-one

Drug info:

PubChemData

Smile

CCC(=O)CCC(C)C

DOS

IR

Vibrations