Geometry & MOs

Info

ID:

44827

PubChem CID:

10506074

Reduced:

NO4H31C34 (1)

Stoich.:

AB4C31D34 (1)

Weight, g/mol:

517.257671

ΔHf, kcal/mol:

-61.9

Dipole, Da:

3.39

IP(EA), eV:

 -8.76(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(1E,3E)-5-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethylamino]-5-oxopenta-1,3-dienyl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1CCC(=O)N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5)OC(=O)[C@@H](C6=CC=CC=C6)OC

DOS

IR

Vibrations