Geometry & MOs

Info

ID:	40515
PubChem CID:	8144258
Reduced:	O3N4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-88.14
Dipole, Da:	5.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761650
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-phenylpiperazin-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)C[NH+]3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations