Geometry & MOs

Info

ID:

162336

PubChem CID:

57394339

Reduced:

ClF2N2O2C23H23 (1)

Stoich.:

AB2C2D2E23F23 (1)

Weight, g/mol:

498.269399

ΔHf, kcal/mol:

-115.75

Dipole, Da:

2.2

IP(EA), eV:

 -9.26(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,3'S)-N-cyclopropyl-5,6-difluoro-N-[[5-(3-methoxypropyl)-2,3-dimethylphenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=CC=C2Cl)C(=O)[C@H]3CNCC[C@]34C5=CC(=C(C=C5CO4)F)F

DOS

IR

Vibrations