Geometry & MOs

Info

ID:	41137
PubChem CID:	8145338
Reduced:	SO2N5C22H27 (1)
Stoich.:	AB2C5D22E27 (1)
Weight, g/mol:	389.21888
ΔH_f, kcal/mol:	34.83
Dipole, Da:	6.83
IP(EA), eV:	-8.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations