Geometry & MOs

Info

ID:	323914
PubChem CID:	126676585
Reduced:	ClSN4O4C14H17 (1)
Stoich.:	ABC4D4E14F17 (1)
Weight, g/mol:	371.130614
ΔH_f, kcal/mol:	-97.01
Dipole, Da:	4.6
IP(EA), eV:	-8.92(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[[3-(difluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CN1C(=NNC1=O)COC2=CC(=C(C=C2C3CC3)Cl)NS(=O)(=O)C

DOS

IR

Vibrations