Geometry & MOs

Info

ID:

334095

PubChem CID:

127252647

Reduced:

N3O6H23C29 (1)

Stoich.:

A3B6C23D29 (1)

Weight, g/mol:

470.241687

ΔHf, kcal/mol:

-68.33

Dipole, Da:

3.44

IP(EA), eV:

 -8.46(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCN3C4=C(C5=C(C3=O)C(=C(C=C5)OC)OC)C(=O)C6=CC=CC=C64

DOS

IR

Vibrations