Geometry & MOs

Info

ID:

442703

PubChem CID:

135255838

Reduced:

OH23C40 (2)

Stoich.:

AB23C40 (2)

Weight, g/mol:

426.137811

ΔHf, kcal/mol:

280.59

Dipole, Da:

1.9

IP(EA), eV:

 -8.28(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2-[6-(trifluoromethyl)pyridin-2-yl]-7-azaspiro[3.5]nonane-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)OC8=C7C9=CC=CC=C9C=C8C1=CC=CC2=C1C=CC=C2C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC2=C(C=C1)OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations