Geometry & MOs

Info

ID:	292962
PubChem CID:	117367149
Reduced:	N2O5H6C11 (1)
Stoich.:	A2B5C6D11 (1)
Weight, g/mol:	246.050379
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	9.59
IP(EA), eV:	-9.6(-2.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-hydroxy-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C\1=C(C(=O)C=C(/C1=C\2/C=C(ON2)C(=O)O)O)C#N

DOS

IR

Vibrations