Geometry & MOs

Info

ID:	4302
PubChem CID:	11160
Reduced:	OC3H6 (2)
Stoich.:	AB3C6 (2)
Weight, g/mol:	116.08373
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	2.0
IP(EA), eV:	-10.87(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC

DOS

IR

Vibrations