Geometry & MOs

Info

ID:	205000
PubChem CID:	80041924
Reduced:	OSN2F3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	259.07326
ΔH_f, kcal/mol:	-202.68
Dipole, Da:	2.07
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=CC(=C1)C(F)(F)F)N)CSC

DOS

IR

Vibrations