Geometry & MOs

Info

ID:	10082
PubChem CID:	96925
Reduced:	O3C7H12 (1)
Stoich.:	A3B7C12 (1)
Weight, g/mol:	144.078644
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	3.59
IP(EA), eV:	-10.27(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-3-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations