Geometry & MOs

Info

ID:

449005

PubChem CID:

135295137

Reduced:

OF3N3H28C29 (1)

Stoich.:

AB3C3D28E29 (1)

Weight, g/mol:

494.336022

ΔHf, kcal/mol:

-86.25

Dipole, Da:

1.8

IP(EA), eV:

 -8.52(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2E,4Z,7E)-10-[4-fluoro-4-(fluoromethyl)cyclohexyl]-5-methyl-7-(4-methylphenyl)deca-2,4,7-trien-3-yl]-3,4,6-trimethyl-2H-pyran

Drug info:

PubChemData

Smile

CC1=CCOC(=C1C2=CC3=C(C(=CC(CC3)[C@H](C)C4=CC=C(C=C4)F)C5=CN(N=C5)C(F)F)N=C2)C

DOS

IR

Vibrations