Geometry & MOs

Info

ID:	47954
PubChem CID:	10536037
Reduced:	O3C11H20 (1)
Stoich.:	A3B11C20 (1)
Weight, g/mol:	200.141244
ΔH_f, kcal/mol:	-166.68
Dipole, Da:	2.49
IP(EA), eV:	-10.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,6,6-trimethyl-5-oxoheptanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@](C)(CC(C)C)C(=O)C

DOS

IR

Vibrations