Geometry & MOs

Info

ID:	41085
PubChem CID:	8145224
Reduced:	OSN6C22H28 (1)
Stoich.:	ABC6D22E28 (1)
Weight, g/mol:	423.239616
ΔH_f, kcal/mol:	77.89
Dipole, Da:	2.41
IP(EA), eV:	-8.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=S)N(N=N3)C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations