Geometry & MOs

Info

ID:	9907
PubChem CID:	94607
Reduced:	FCl2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	284.028332
ΔH_f, kcal/mol:	-5.11
Dipole, Da:	1.74
IP(EA), eV:	-9.05(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-2-(4-chloro-2-fluorophenyl)-4,5,6,7-tetrahydroindazole

Drug info:

PubChemData

Smile

C1CCC2=NN(C(=C2C1)Cl)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations