Geometry & MOs

Info

ID:	297466
PubChem CID:	117618557
Reduced:	NF3C14H14 (1)
Stoich.:	AB3C14D14 (1)
Weight, g/mol:	286.165683
ΔH_f, kcal/mol:	-125.86
Dipole, Da:	1.88
IP(EA), eV:	-9.63(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-3,5-dicyclopropyl-1-(2,2,2-trifluoroethyl)pyrazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C2C=CC=NC2=C1)C(F)(F)F

DOS

IR

Vibrations