Geometry & MOs

Info

ID:

324679

PubChem CID:

126678122

Reduced:

ON3H33C54 (1)

Stoich.:

AB3C33D54 (1)

Weight, g/mol:

663.231063

ΔHf, kcal/mol:

222.66

Dipole, Da:

2.56

IP(EA), eV:

 -7.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-carbazol-9-yl-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C6=C(N5C7=CC=CC=C7)C8=C(C=C6)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=C4C3=CC=CC=C3O1)C1=CC=CC=C12

DOS

IR

Vibrations