Geometry & MOs

Info

ID:	354158
PubChem CID:	127286089
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	349.175004
ΔH_f, kcal/mol:	-176.68
Dipole, Da:	5.36
IP(EA), eV:	-8.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(2-hydroxy-3-pyrazol-1-ylpropyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)CC3=C4C(=CC=C3)OCCO4

DOS

IR

Vibrations