Geometry & MOs

Info

ID:	10097
PubChem CID:	97290
Reduced:	ClN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	223.062473
ΔH_f, kcal/mol:	84.62
Dipole, Da:	4.03
IP(EA), eV:	-10.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-cyclopentyltriazolo[4,5-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=C(C(=NC=N3)Cl)N=N2

DOS

IR

Vibrations