Geometry & MOs

Info

ID:	171521
PubChem CID:	75387844
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	338.131366
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	5.39
IP(EA), eV:	-9.09(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-benzylsulfanylpyrazin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

Drug info:

PubChemData

Smile

CC1CCN(CC(C1)C)C(=O)NCCCC2=C(ON=C2C)C

DOS

IR

Vibrations