Geometry & MOs

Info

ID:

430995

PubChem CID:

135171065

Reduced:

O2N3C26H29 (1)

Stoich.:

A2B3C26D29 (1)

Weight, g/mol:

944.46973

ΔHf, kcal/mol:

-13.7

Dipole, Da:

5.17

IP(EA), eV:

 -8.81(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-N-[(2S)-6-[[3-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-6-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)pyridazin-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CC(COC1)C=N[C@@H]2CCC3=CC=CC=C23)C(=O)C4=CC5=CC=CC=C5N4

DOS

IR

Vibrations