Geometry & MOs

Info

ID:	18178
PubChem CID:	538774
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-152.01
Dipole, Da:	2.63
IP(EA), eV:	-10.41(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetyl-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C)C(=O)OC

DOS

IR

Vibrations