Geometry & MOs

Info

ID:	283323
PubChem CID:	103974469
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	286.101665
ΔH_f, kcal/mol:	-216.15
Dipole, Da:	4.05
IP(EA), eV:	-8.62(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,3-difluorophenyl)methyl]-2-ethoxycarbonylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC(=C1)C)OC)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations