Geometry & MOs

Info

ID:	283322
PubChem CID:	103974446
Reduced:	F3O4C9H13 (1)
Stoich.:	A3B4C9D13 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-355.83
Dipole, Da:	6.85
IP(EA), eV:	-11.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxycarbonyl-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC(F)(F)F)(C(=O)O)C(=O)OCC

DOS

IR

Vibrations