Geometry & MOs

Info

ID:	40493
PubChem CID:	8144230
Reduced:	S2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	357.192666
ΔH_f, kcal/mol:	109.62
Dipole, Da:	4.35
IP(EA), eV:	-8.14(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CS4

DOS

IR

Vibrations