Geometry & MOs

Info

ID:	41102
PubChem CID:	8145242
Reduced:	O3N4C22H35 (1)
Stoich.:	A3B4C22D35 (1)
Weight, g/mol:	402.263091
ΔH_f, kcal/mol:	-104.01
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756619
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=O)[C@@](NC3=O)(C)CCC(C)C

DOS

IR

Vibrations