Geometry & MOs

Info

ID:	173754
PubChem CID:	75679062
Reduced:	O3N4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	378.145381
ΔH_f, kcal/mol:	-121.7
Dipole, Da:	0.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755370
Charge, e:	-1

Chem-info

IUPAC name:

4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CN1C(=O)CC(C1=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

DOS

IR

Vibrations