Geometry & MOs

Info

ID:	11074
PubChem CID:	110786
Reduced:	OC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	142.135765
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	3.04
IP(EA), eV:	-9.86(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylheptan-2-one

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)C

DOS

IR

Vibrations