Geometry & MOs

Info

ID:	41133
PubChem CID:	8145330
Reduced:	NO3H14C20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	423.20323
ΔH_f, kcal/mol:	12.39
Dipole, Da:	19.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.454474
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

C1CC2=CC=C(C3=CC=CC1=C23)NC=C4C=C(C=CC4=O)C(=O)[O-]

DOS

IR

Vibrations