Geometry & MOs

Info

ID:	356593
PubChem CID:	127291819
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	340.211055
ΔH_f, kcal/mol:	-62.96
Dipole, Da:	8.89
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC1C(=O)N2CCN(CC2)CC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations