Geometry & MOs

Info

ID:	4504
PubChem CID:	11509
Reduced:	OC6H12 (1)
Stoich.:	AB6C12 (1)
Weight, g/mol:	100.088815
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	3.17
IP(EA), eV:	-9.96(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexan-3-one

Drug info:

PubChemData

Smile

CCCC(=O)CC

DOS

IR

Vibrations