Geometry & MOs

Info

ID:	292738
PubChem CID:	117357550
Reduced:	F2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	5.07
IP(EA), eV:	-9.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-ethyl-2,3-difluorophenyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)CC2(CC2)O)(F)F

DOS

IR

Vibrations