Geometry & MOs

Info

ID:	6831
PubChem CID:	70209
Reduced:	OC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	142.135765
ΔH_f, kcal/mol:	-80.46
Dipole, Da:	3.13
IP(EA), eV:	-9.79(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyloctan-3-one

Drug info:

PubChemData

Smile

CCCCCC(=O)C(C)C

DOS

IR

Vibrations