Geometry & MOs

Info

ID:

426982

PubChem CID:

135154860

Reduced:

O8C57H108 (1)

Stoich.:

A8B57C108 (1)

Weight, g/mol:

491.233268

ΔHf, kcal/mol:

-545.35

Dipole, Da:

5.93

IP(EA), eV:

 -9.48(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)O.CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO

DOS

IR

Vibrations