Geometry & MOs

Info

ID:	172459
PubChem CID:	75512588
Reduced:	ClOF2N2C12H15 (1)
Stoich.:	ABC2D2E12F15 (1)
Weight, g/mol:	316.08349
ΔH_f, kcal/mol:	-162.36
Dipole, Da:	6.4
IP(EA), eV:	-9.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazol-4-yl)ethyl 2-fluoro-3-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1CC(C1)(CC(=O)NC2=CC(=CC(=C2)F)F)N.Cl

DOS

IR

Vibrations