Geometry & MOs

Info

ID:

434469

PubChem CID:

135175012

Reduced:

N4O4C25H30 (1)

Stoich.:

A4B4C25D30 (1)

Weight, g/mol:

944.46973

ΔHf, kcal/mol:

-64.43

Dipole, Da:

5.43

IP(EA), eV:

 -8.42(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-N-[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

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC4=C(C=C3)OCCO4)C(=O)NC5CC6CC5C6

DOS

IR

Vibrations