Geometry & MOs

Info

ID:	41140
PubChem CID:	8145345
Reduced:	SN3O4C20H24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	347.17193
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	17.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.868793
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C[NH+](C)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

DOS

IR

Vibrations