Geometry & MOs

Info

ID:

326561

PubChem CID:

126687780

Reduced:

NF3O5C27H28 (1)

Stoich.:

AB3C5D27E28 (1)

Weight, g/mol:

429.191564

ΔHf, kcal/mol:

-319.29

Dipole, Da:

5.79

IP(EA), eV:

 -9.08(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(1R)-1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)oxy]-5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

COC1CCN(CC1)CC2=C(C=CC3=C2CC[C@H]3OC4=CC5=C(C=C4)/C(=C/C(=O)O)/CO5)C(F)(F)F

DOS

IR

Vibrations