Geometry & MOs

Info

ID:

334085

PubChem CID:

127252637

Reduced:

O9H24C29 (1)

Stoich.:

A9B24C29 (1)

Weight, g/mol:

482.205301

ΔHf, kcal/mol:

-241.09

Dipole, Da:

5.47

IP(EA), eV:

 -8.74(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC(=O)CC4C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations