Geometry & MOs

Info

ID:	247853
PubChem CID:	103077102
Reduced:	ClOSN7H10C11 (1)
Stoich.:	ABCD7E10F11 (1)
Weight, g/mol:	282.070595
ΔH_f, kcal/mol:	107.98
Dipole, Da:	4.3
IP(EA), eV:	-9.46(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-(cyclopentylmethylsulfanyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SC3=NNC(=O)N3C4CC4

DOS

IR

Vibrations