Geometry & MOs

Info

ID:

449001

PubChem CID:

135295103

Reduced:

F2N2C33H44 (1)

Stoich.:

A2B2C33D44 (1)

Weight, g/mol:

464.282764

ΔHf, kcal/mol:

-82.24

Dipole, Da:

4.02

IP(EA), eV:

 -8.51(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(3-methyl-2,3-dihydropyridin-5-yl)-7-(1-phenylethyl)-3-(3,4,6-trimethyl-2H-pyran-5-yl)-6,7-dihydro-5H-cyclohepta[b]pyridine

Drug info:

PubChemData

Smile

CC/C(=C(/C1=CN=C(C(=C1)C)/C(=C\CCC2(CCC(CC2)(N)F)F)/C3=CC=C(C(C=C3)C)C)\C(=C)C)/C

DOS

IR

Vibrations