Geometry & MOs

Info

ID:	23833
PubChem CID:	606540
Reduced:	N2O2F3H5C6 (1)
Stoich.:	A2B2C3D5E6 (1)
Weight, g/mol:	194.030312
ΔH_f, kcal/mol:	-200.49
Dipole, Da:	1.07
IP(EA), eV:	-10.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(F)(F)F)C(=O)O

DOS

IR

Vibrations