Geometry & MOs

Info

ID:

317205

PubChem CID:

126633165

Reduced:

NH29C46 (1)

Stoich.:

AB29C46 (1)

Weight, g/mol:

619.23

ΔHf, kcal/mol:

191.14

Dipole, Da:

1.82

IP(EA), eV:

 -8.19(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(4-benzo[b]triphenylen-9-ylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)C5=CC=CC6=CC7=C(C=C65)C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C12

DOS

IR

Vibrations