Geometry & MOs

Info

ID:	35166
PubChem CID:	7979409
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-164.56
Dipole, Da:	4.91
IP(EA), eV:	-9.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(2R)-1-(4-benzylpiperazine-1,4-diium-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations