Geometry & MOs

Info

ID:	248139
PubChem CID:	103079232
Reduced:	O2N3C7H11 (1)
Stoich.:	A2B3C7D11 (1)
Weight, g/mol:	275.068175
ΔH_f, kcal/mol:	-10.73
Dipole, Da:	3.75
IP(EA), eV:	-8.25(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-fluoro-3-(trifluoromethyl)phenoxy]-1-methylpyrazol-4-amine

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC2COC2)N

DOS

IR

Vibrations