Geometry & MOs

Info

ID:	292689
PubChem CID:	117357091
Reduced:	F2O3C12H12 (1)
Stoich.:	A2B3C12D12 (1)
Weight, g/mol:	242.075451
ΔH_f, kcal/mol:	-181.29
Dipole, Da:	4.99
IP(EA), eV:	-9.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(difluoromethyl)-2-hydroxy-5-methylphenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=C(C=C1)C2(CC2)C(=O)O)F)F

DOS

IR

Vibrations