Geometry & MOs

Info

ID:	323573
PubChem CID:	126675499
Reduced:	ClN6H15C16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	494.00219
ΔH_f, kcal/mol:	145.25
Dipole, Da:	4.62
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-7-[[1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C=N2)CC3=CC(=NC4=C3NN4)N)Cl

DOS

IR

Vibrations