Geometry & MOs

Info

ID:	430393
PubChem CID:	135170457
Reduced:	ClF3N3H7C10 (1)
Stoich.:	AB3C3D7E10 (1)
Weight, g/mol:	189.051382
ΔH_f, kcal/mol:	-91.36
Dipole, Da:	2.48
IP(EA), eV:	-10.08(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2,2,2-trifluoroethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C(F)(F)F)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations