Geometry & MOs

Info

ID:	204905
PubChem CID:	80028029
Reduced:	OF3N3C12H14 (1)
Stoich.:	AB3C3D12E14 (1)
Weight, g/mol:	245.05761
ΔH_f, kcal/mol:	-161.36
Dipole, Da:	5.4
IP(EA), eV:	-9.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)C2=C(C(=CC=C2)C(F)(F)F)NN

DOS

IR

Vibrations