Geometry & MOs

Info

ID:	41093
PubChem CID:	8145232
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	409.223966
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	2.23
IP(EA), eV:	-8.38(0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)CN3C(=O)C4(CCCCCC4)NC3=O

DOS

IR

Vibrations