Geometry & MOs

Info

ID:	362223
PubChem CID:	127307236
Reduced:	SO2N7C16H23 (1)
Stoich.:	AB2C7D16E23 (1)
Weight, g/mol:	249.15896
ΔH_f, kcal/mol:	6.48
Dipole, Da:	2.39
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)N3CCN4C=NN=C4C3

DOS

IR

Vibrations