Geometry & MOs

Info

ID:

169355

PubChem CID:

75091615

Reduced:

ClN2F5O12H30C31 (1)

Stoich.:

AB2C5D12E30F31 (1)

Weight, g/mol:

435.22704

ΔHf, kcal/mol:

-722.96

Dipole, Da:

4.6

IP(EA), eV:

 -9.87(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[4-(2-methylpyridin-3-yl)oxypyrrolo[2,3-c]pyridazin-7-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(CNC(=O)C2=CC=C(C=C2)Cl)OC(=O)C)OC(=O)C)(C(=O)O)OCC3=C(C(=C(C(=C3F)F)F)F)F)OC(=O)C

DOS

IR

Vibrations