Geometry & MOs

Info

ID:	41043
PubChem CID:	8145164
Reduced:	OSN4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	361.223966
ΔH_f, kcal/mol:	59.21
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.069131
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations