Geometry & MOs

Info

ID:	253649
PubChem CID:	103119764
Reduced:	ClOSN4C9H9 (1)
Stoich.:	ABCD4E9F9 (1)
Weight, g/mol:	298.073372
ΔH_f, kcal/mol:	32.08
Dipole, Da:	8.34
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-methyl-3-(1-methylindazol-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NC2=NC(=CS2)CCl

DOS

IR

Vibrations