Geometry & MOs

Info

ID:	41440
PubChem CID:	8145891
Reduced:	ClO3N4C21H28 (1)
Stoich.:	AB3C4D21E28 (1)
Weight, g/mol:	418.177168
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	11.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771770
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[(1S,2R)-2-methylcyclohexyl]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)Cl

DOS

IR

Vibrations