Geometry & MOs

Info

ID:

432902

PubChem CID:

135173039

Reduced:

N3H31C46 (1)

Stoich.:

A3B31C46 (1)

Weight, g/mol:

657.314398

ΔHf, kcal/mol:

232.0

Dipole, Da:

2.74

IP(EA), eV:

 -8.74(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[(7E,9Z)-6,11-dimethyl-5-phenyl-5-pyridin-3-yl-6,11-dihydrobenzo[9]annulen-8-yl]phenyl]-2,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC(=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C6(C8=CC=CC=C8)C9=CN=CC=C9

DOS

IR

Vibrations