Geometry & MOs

Info

ID:

315824

PubChem CID:

126628951

Reduced:

N3H41C57 (1)

Stoich.:

A3B41C57 (1)

Weight, g/mol:

720.288912

ΔHf, kcal/mol:

263.23

Dipole, Da:

2.22

IP(EA), eV:

 -7.96(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11'-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,12'-indeno[2,1-a]carbazole]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=C(C=CC3NC(=C2)C4=CC=CC(=C4)C5=CC=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC(=CC=C8)N9C1=CC=CC=C1C1=CC=CC=C19

DOS

IR

Vibrations