Geometry & MOs

Info

ID:	365602
PubChem CID:	127318213
Reduced:	OSN5C16H27 (1)
Stoich.:	ABC5D16E27 (1)
Weight, g/mol:	321.162332
ΔH_f, kcal/mol:	-14.54
Dipole, Da:	1.35
IP(EA), eV:	-8.52(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(thian-4-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NCC3CCSCC3

DOS

IR

Vibrations