Geometry & MOs

Info

ID:

434509

PubChem CID:

135175095

Reduced:

ClFN6O13C52H54 (1)

Stoich.:

ABC6D13E52F54 (1)

Weight, g/mol:

475.25834

ΔHf, kcal/mol:

-444.96

Dipole, Da:

9.63

IP(EA), eV:

 -8.64(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-bicyclo[3.1.1]heptanyl)-5-methyl-6-[4-[(2-methyl-3-oxo-1H-isoindol-5-yl)oxy]piperidin-1-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCCNC(=O)COCCOCCOCCOCCOCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl)C(=O)N(C=O)C7CCC(=O)NC7=O

DOS

IR

Vibrations