Geometry & MOs

Info

ID:	35170
PubChem CID:	7979418
Reduced:	SN2O4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	388.236208
ΔH_f, kcal/mol:	-154.09
Dipole, Da:	4.87
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations