Geometry & MOs

Info

ID:

310082

PubChem CID:

126574011

Reduced:

ON3C16H23 (1)

Stoich.:

AB3C16D23 (1)

Weight, g/mol:

632.362551

ΔHf, kcal/mol:

-19.41

Dipole, Da:

4.21

IP(EA), eV:

 -8.91(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2S)-2-[4-(7-azaspiro[3.5]nonan-7-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-2-(hydroxymethyl)-6-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CN(C)C(=O)N1C[C@H]2CN(C[C@H]2C1)CC3=CC=CC=C3

DOS

IR

Vibrations