Geometry & MOs

Info

ID:	40350
PubChem CID:	8143976
Reduced:	SO2N4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	397.223966
ΔH_f, kcal/mol:	-75.98
Dipole, Da:	5.01
IP(EA), eV:	-8.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(cyclohexen-1-yl)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]imidazolidine-2,4,5-trione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN(C)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

DOS

IR

Vibrations