Geometry & MOs

Info

ID:	430455
PubChem CID:	135170519
Reduced:	ClN2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	214.052939
ΔH_f, kcal/mol:	0.63
Dipole, Da:	3.37
IP(EA), eV:	-9.18(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-(1,1,2,2,2-pentafluoroethyl)pyrazole

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(C)(C)Cl)C

DOS

IR

Vibrations