Geometry & MOs

Info

ID:	294331
PubChem CID:	117453356
Reduced:	F2N2O3H12C13 (1)
Stoich.:	A2B2C3D12E13 (1)
Weight, g/mol:	282.081599
ΔH_f, kcal/mol:	-153.68
Dipole, Da:	7.28
IP(EA), eV:	-10.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(difluoromethyl)-3-methoxyphenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=C(C(=CC(=C2)CF)F)OC

DOS

IR

Vibrations