Geometry & MOs

Info

ID:	235520
PubChem CID:	92709898
Reduced:	ON3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-20.52
Dipole, Da:	7.26
IP(EA), eV:	-8.59(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-benzyl-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)N2CCC(CC2)N3CCCCC3)N4C=CC=C4

DOS

IR

Vibrations