Geometry & MOs

Info

ID:	271482
PubChem CID:	103680727
Reduced:	NSO3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	329.01374
ΔH_f, kcal/mol:	-126.04
Dipole, Da:	7.34
IP(EA), eV:	-8.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-iodopyrazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

Drug info:

PubChemData

Smile

COCCCCCNC1=CC=CC=C1S(=O)(=O)C

DOS

IR

Vibrations