Geometry & MOs

Info

ID:

449009

PubChem CID:

135295172

Reduced:

FNOC15H15 (2)

Stoich.:

ABCD15E15 (2)

Weight, g/mol:

486.3974

ΔHf, kcal/mol:

-79.29

Dipole, Da:

7.52

IP(EA), eV:

 -8.43(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(2E)-2-[(2E)-2-ethylidene-4-methyl-3-propan-2-ylpent-3-enylidene]-5-methyl-1-[(1-methylcyclohexyl)methyl]-3-methylidene-4H-pyridin-4-yl]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C=C2)C(=CN3CC4CCC(CC4)(F)F)C5=CC=C(C=C5)C6(CC6)C=O

DOS

IR

Vibrations