Geometry & MOs

Info

ID:	133785
PubChem CID:	51589240
Reduced:	NO2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	383.197082
ΔH_f, kcal/mol:	-102.02
Dipole, Da:	1.74
IP(EA), eV:	-8.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)[C@H](CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations