Geometry & MOs

Info

ID:	368748
PubChem CID:	127329999
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	1.89
IP(EA), eV:	-8.41(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations