Geometry & MOs

Info

ID:	41154
PubChem CID:	8145372
Reduced:	N4O4C23H33 (1)
Stoich.:	A4B4C23D33 (1)
Weight, g/mol:	429.250181
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	12.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772418
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)C(=O)N(C3=O)[C@@H]4CCCC[C@@H]4C

DOS

IR

Vibrations