Geometry & MOs

Info

ID:

311298

PubChem CID:

126590313

Reduced:

ON3H35C54 (1)

Stoich.:

AB3C35D54 (1)

Weight, g/mol:

542.329714

ΔHf, kcal/mol:

205.36

Dipole, Da:

2.49

IP(EA), eV:

 -8.07(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-(3-tert-butyl-1,2-dihydropyridin-6-yl)phenyl]ethyl]-2-[6-(2-methylpropyl)dibenzofuran-4-yl]-2H-pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=CC(=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC(=C8)N)C9=C2C=C(C=C9)C1=CC=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations