Geometry & MOs

Info

ID:

435387

PubChem CID:

135191346

Reduced:

OF3N4C23H27 (1)

Stoich.:

AB3C4D23E27 (1)

Weight, g/mol:

500.214759

ΔHf, kcal/mol:

-137.22

Dipole, Da:

5.55

IP(EA), eV:

 -9.12(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,5R,6aR)-3a-amino-5-[2-(trifluoromethyl)phenyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)NN=C2C(=O)N3C[C@H]4CC(C[C@H]4C3)C5=C(C=CC=CC5)C(F)(F)F

DOS

IR

Vibrations