Geometry & MOs

Info

ID:

449064

PubChem CID:

135295684

Reduced:

OF2N2C26H26 (1)

Stoich.:

AB2C2D26E26 (1)

Weight, g/mol:

581.286527

ΔHf, kcal/mol:

-62.55

Dipole, Da:

6.39

IP(EA), eV:

 -8.4(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(1-phenylethenoxy)propyl]-5-[(2R)-2-[2-[6-(2,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]oxyethylamino]propyl]-2,3-dihydroindole-7-carbonitrile

Drug info:

PubChemData

Smile

CN(CC(CN1C2=C(C=C(C=C2)F)C3=C1C=CC(=C3)F)O)C4=CC=C(C=C4)C5CCC5

DOS

IR

Vibrations