Geometry & MOs

Info

ID:	40483
PubChem CID:	8144216
Reduced:	O2N3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	345.192666
ΔH_f, kcal/mol:	19.82
Dipole, Da:	7.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.290250
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)[NH2+][C@H](C3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations