Geometry & MOs

Info

ID:

238593

PubChem CID:

92763319

Reduced:

NO4C17H17 (2)

Stoich.:

AB4C17D17 (2)

Weight, g/mol:

632.236995

ΔHf, kcal/mol:

-188.63

Dipole, Da:

3.75

IP(EA), eV:

 -8.3(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(S)-(3,4-dimethoxyphenyl)-[2-[[(S)-(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](C2=CC3=C(C=C2O)OCO3)N4CCN(CC4)[C@H](C5=CC=C(C=C5)OC)C6=CC7=C(C=C6O)OCO7

DOS

IR

Vibrations