Geometry & MOs

Info

ID:	354153
PubChem CID:	127286084
Reduced:	O3N6C17H26 (1)
Stoich.:	A3B6C17D26 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	3.18
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)CN2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations