Geometry & MOs

Info

ID:

449273

PubChem CID:

135297301

Reduced:

N2H14C23 (2)

Stoich.:

A2B14C23 (2)

Weight, g/mol:

676.287849

ΔHf, kcal/mol:

244.56

Dipole, Da:

2.9

IP(EA), eV:

 -8.05(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-2,4-dien-1-yl]-1,11-diazaoctacyclo[19.10.1.02,14.04,12.05,10.015,20.025,32.026,31]dotriaconta-2(14),3,5,7,9,12,15,17,19,21,23,25(32),26,28,30-pentadecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C7=CC=CC=C7N8C9=CC=CC=C9C1=C8C6=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations