Geometry & MOs

Info

ID:

431316

PubChem CID:

135171387

Reduced:

O5N11C46H51 (1)

Stoich.:

A5B11C46D51 (1)

Weight, g/mol:

467.232125

ΔHf, kcal/mol:

23.46

Dipole, Da:

14.16

IP(EA), eV:

 -8.77(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(3-cyanophenoxy)piperidin-1-yl]-5-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OCC3CC3)C(=O)NCC4=CC(=NC=C4)C5=C(N=CC(=C5)OC6CCN(CC6)C7=NN=C(C=C7C)C(=O)NCC8=CC(=CC=C8)C#N)OC

DOS

IR

Vibrations