Geometry & MOs

Info

ID:

317336

PubChem CID:

126636329

Reduced:

FNO9C37H50 (1)

Stoich.:

ABC9D37E50 (1)

Weight, g/mol:

390.210742

ΔHf, kcal/mol:

-431.59

Dipole, Da:

4.51

IP(EA), eV:

 -8.84(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-fluoro-2-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]phenyl]ethenyl]-2-methylidene-1H-pyridin-4-amine

Drug info:

PubChemData

Smile

CCN(C1=CC\2=C(C(=C1)O)C(=O)O[C@H]([C@@H](/C=C(\[C@H]([C@H]([C@H](C/C=C2)O)OC(C)C)OCC3=CC=C(C=C3)OC)/F)C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations