Geometry & MOs

Info

ID:	247859
PubChem CID:	103077121
Reduced:	ClSO2N4C9H11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	271.065844
ΔH_f, kcal/mol:	-12.2
Dipole, Da:	3.35
IP(EA), eV:	-9.73(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SCC(CO)O

DOS

IR

Vibrations