Geometry & MOs

Info

ID:

334754

PubChem CID:

127253429

Reduced:

N3O9C29H31 (1)

Stoich.:

A3B9C29D31 (1)

Weight, g/mol:

522.236601

ΔHf, kcal/mol:

-294.18

Dipole, Da:

2.42

IP(EA), eV:

 -8.62(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCN2C(=NC3=CC(=C(C=C3C2=O)OC)OC)C)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations