Geometry & MOs

Info

ID:	41390
PubChem CID:	8145787
Reduced:	ClO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	412.166604
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	5.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756856
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations