Geometry & MOs

Info

ID:

325015

PubChem CID:

126679234

Reduced:

ON2H32C54 (1)

Stoich.:

AB2C32D54 (1)

Weight, g/mol:

663.231063

ΔHf, kcal/mol:

209.07

Dipole, Da:

1.83

IP(EA), eV:

 -7.98(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-(9-phenylcarbazol-3-yl)-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(C4=C2C5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC(=C7)C8=CC9=C(C=C8)C1=CC=CC=C1C1=CC=CC=C19)C1=C(C=C3)C2=CC=CC=C2O1

DOS

IR

Vibrations