Geometry & MOs

Info

ID:	283320
PubChem CID:	103974089
Reduced:	FO4C10H17 (1)
Stoich.:	AB4C10D17 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	-249.15
Dipole, Da:	3.97
IP(EA), eV:	-11.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-2-(2-ethoxyethyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(CCF)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations