Geometry & MOs

Info

ID:	5581
PubChem CID:	13357
Reduced:	OC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	116.08373
ΔH_f, kcal/mol:	-111.8
Dipole, Da:	1.79
IP(EA), eV:	-10.68(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC

DOS

IR

Vibrations