Geometry & MOs

Info

ID:	283325
PubChem CID:	103974749
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	298.121652
ΔH_f, kcal/mol:	-163.62
Dipole, Da:	3.66
IP(EA), eV:	-9.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-ethoxycarbonyl-2-(4-fluorophenyl)butanoic acid

Drug info:

PubChemData

Smile

CCC(=C)CC(C1=CC=C(C=C1)Cl)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations