Geometry & MOs

Info

ID:	22149
PubChem CID:	596095
Reduced:	N2O2F3C7H7 (1)
Stoich.:	A2B2C3D7E7 (1)
Weight, g/mol:	208.045962
ΔH_f, kcal/mol:	-207.34
Dipole, Da:	2.07
IP(EA), eV:	-10.97(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NN=C1)C(F)(F)F

DOS

IR

Vibrations