Geometry & MOs

Info

ID:	208416
PubChem CID:	80527604
Reduced:	ClSN3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	249.104817
ΔH_f, kcal/mol:	35.42
Dipole, Da:	5.47
IP(EA), eV:	-9.07(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylthiolan-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

Drug info:

PubChemData

Smile

CCC1=C(N=CN=C1Cl)NCC(C)(C)C2=CC=CS2

DOS

IR

Vibrations