Geometry & MOs

Info

ID:	41089
PubChem CID:	8145228
Reduced:	N3C25H25 (1)
Stoich.:	A3B25C25 (1)
Weight, g/mol:	423.239616
ΔH_f, kcal/mol:	124.86
Dipole, Da:	1.73
IP(EA), eV:	-8.63(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C[C@H](N(C1)CC2=CC=CC=C2)C3=CC=CC=C3)N=NC4=CC=CC=C4

DOS

IR

Vibrations