Geometry & MOs

Info

ID:	362630
PubChem CID:	127308898
Reduced:	OSN6C19H32 (1)
Stoich.:	ABC6D19E32 (1)
Weight, g/mol:	390.220181
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	7.52
IP(EA), eV:	-8.69(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)NCC3(CCCC3)N4CCSCC4

DOS

IR

Vibrations