Geometry & MOs

Info

ID:	12985
PubChem CID:	219498
Reduced:	OC8H16 (1)
Stoich.:	AB8C16 (1)
Weight, g/mol:	128.120115
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	2.98
IP(EA), eV:	-9.82(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethylhexan-3-one

Drug info:

PubChemData

Smile

CCC(=O)CC(C)(C)C

DOS

IR

Vibrations