Geometry & MOs

Info

ID:	372385
PubChem CID:	131296767
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	220.034729
ΔH_f, kcal/mol:	-21.41
Dipole, Da:	4.51
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-5-fluoro-4-hydroxyphenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C=CC(=C12)C#N)O)C

DOS

IR

Vibrations