Geometry & MOs

Info

ID:	40424
PubChem CID:	8144099
Reduced:	O3N4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	3.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757203
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[(4-phenylpiperazin-1-yl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)C[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations