Geometry & MOs

Info

ID:	10277
PubChem CID:	99597
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	158.094294
ΔH_f, kcal/mol:	-149.64
Dipole, Da:	3.63
IP(EA), eV:	-10.14(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4,4-dimethyl-3-oxopentanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations