Geometry & MOs

Info

ID:

299323

PubChem CID:

117682643

Reduced:

N3H27C46 (1)

Stoich.:

A3B27C46 (1)

Weight, g/mol:

783.267448

ΔHf, kcal/mol:

245.26

Dipole, Da:

0.6

IP(EA), eV:

 -8.29(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(7'-phenanthro[9,10-b]pyrazin-10-yl-9,9'-spirobi[fluorene]-2'-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC=CC(=C4)C5=CC(=CC=C5)C6=CC7=C(C=C6)N8C9=CC=CC=C9C1=C8C7=CC=C1)C1=NC=CN=C21

DOS

IR

Vibrations