Geometry & MOs

Info

ID:

444262

PubChem CID:

135261893

Reduced:

NO2C12H16 (2)

Stoich.:

AB2C12D16 (2)

Weight, g/mol:

745.291177

ΔHf, kcal/mol:

-141.38

Dipole, Da:

2.96

IP(EA), eV:

 -8.34(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[6-[1-[2-[4-[(1R,2S)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidin-3-yl]oxypyridin-3-yl]oxy-6-oxopyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations