Geometry & MOs

Info

ID:	354151
PubChem CID:	127286082
Reduced:	O3N6C17H24 (1)
Stoich.:	A3B6C17D24 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	6.05
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CN1C(=NN=C1C2CC2)CN3CCN(CC3)C(=O)CN4C(=O)CCC4=O

DOS

IR

Vibrations