Geometry & MOs

Info

ID:	40423
PubChem CID:	8144098
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	395.208316
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	4.03
IP(EA), eV:	-8.1(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations