Geometry & MOs

Info

ID:	124805
PubChem CID:	50896767
Reduced:	F3N3H4C6 (1)
Stoich.:	A3B3C4D6 (1)
Weight, g/mol:	175.035732
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	4.47
IP(EA), eV:	-10.65(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C#N)C(F)(F)F

DOS

IR

Vibrations