Geometry & MOs

Info

ID:	41086
PubChem CID:	8145225
Reduced:	O3N4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	1.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794146
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)[C@@H](N(C3=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations