Geometry & MOs

Info

ID:	172338
PubChem CID:	75497059
Reduced:	SO3N4C13H22 (1)
Stoich.:	AB3C4D13E22 (1)
Weight, g/mol:	310.140531
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	5.78
IP(EA), eV:	-9.83(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1,1-trifluoro-3-pyridin-4-ylpropan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

Drug info:

PubChemData

Smile

COCC1=NN2CCCC(C2=N1)NS(=O)(=O)CCC3CC3

DOS

IR

Vibrations