Geometry & MOs

Info

ID:

324680

PubChem CID:

126678124

Reduced:

ON3H29C48 (1)

Stoich.:

AB3C29D48 (1)

Weight, g/mol:

739.262363

ΔHf, kcal/mol:

200.6

Dipole, Da:

2.1

IP(EA), eV:

 -7.97(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,24-diphenyl-26-(9-phenylcarbazol-3-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,22,25-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C42)C5=C(C=C3)C6=C(N5C7=CC=CC=C7)C=CC8=C6OC9=CC=CC(=C89)N1C2=CC=CC=C2C2=CC=CC=C21

DOS

IR

Vibrations