Geometry & MOs

Info

ID:

334619

PubChem CID:

127253294

Reduced:

F2O2N3C25H27 (1)

Stoich.:

A2B2C3D25E27 (1)

Weight, g/mol:

526.231516

ΔHf, kcal/mol:

-66.09

Dipole, Da:

5.34

IP(EA), eV:

 -8.14(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)C5=CNC6=C(C5=O)C=C(C=C6F)F

DOS

IR

Vibrations