Geometry & MOs

Info

ID:	362629
PubChem CID:	127308897
Reduced:	OSN5C18H35 (1)
Stoich.:	ABC5D18E35 (1)
Weight, g/mol:	392.235831
ΔH_f, kcal/mol:	-61.93
Dipole, Da:	2.77
IP(EA), eV:	-8.42(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)NCC2(CCCC2)N3CCSCC3)C

DOS

IR

Vibrations