Geometry & MOs

Info

ID:

84068

PubChem CID:

49863985

Reduced:

O3C14H17 (2)

Stoich.:

A3B14C17 (2)

Weight, g/mol:

411.180999

ΔHf, kcal/mol:

-187.64

Dipole, Da:

7.64

IP(EA), eV:

 -9.52(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-(3,5-difluorophenyl)-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3[C@@]1([C@]45[C@H](O4)C(=O)[C@H]([C@@]5(CC3)C)C6=COC=C6)C)C

DOS

IR

Vibrations