Geometry & MOs

Info

ID:

378094

PubChem CID:

134224165

Reduced:

N2H17C23 (2)

Stoich.:

A2B17C23 (2)

Weight, g/mol:

748.331445

ΔHf, kcal/mol:

236.7

Dipole, Da:

1.0

IP(EA), eV:

 -8.24(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[2-[1-(4,6-diphenylpyrimidin-2-yl)ethyl]phenyl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-8-methyl-4a,9a-dihydrocarbazole

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(C2=C1C=CC3=C2C4=CC=CC=C4N3C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations