Geometry & MOs

Info

ID:	40516
PubChem CID:	8144259
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	385.223966
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	2.9
IP(EA), eV:	-8.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations