Geometry & MOs

Info

ID:	293775
PubChem CID:	117401076
Reduced:	FNO6C10H10 (1)
Stoich.:	ABC6D10E10 (1)
Weight, g/mol:	259.07326
ΔH_f, kcal/mol:	-192.39
Dipole, Da:	6.65
IP(EA), eV:	-10.12(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1F)[N+](=O)[O-])C(C(=O)OC)O

DOS

IR

Vibrations