Geometry & MOs

Info

ID:	378623
PubChem CID:	134224716
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	279.065318
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	3.45
IP(EA), eV:	-9.07(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-1-(3-methylsulfanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1=NNC2=C1CN(CCC2)S(=O)(=O)C(C)(C)C

DOS

IR

Vibrations