Geometry & MOs

Info

ID:	133510
PubChem CID:	51538198
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	469.261494
ΔH_f, kcal/mol:	4.15
Dipole, Da:	10.58
IP(EA), eV:	-8.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethoxy]phenyl]methyl-methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3C=CC4=CC=CC=C43

DOS

IR

Vibrations