Geometry & MOs

Info

ID:

319522

PubChem CID:

126656523

Reduced:

ON5H37C56 (1)

Stoich.:

AB5C37D56 (1)

Weight, g/mol:

857.315461

ΔHf, kcal/mol:

243.77

Dipole, Da:

4.0

IP(EA), eV:

 -8.2(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene

Drug info:

PubChemData

Smile

C[C@@]1(N=C(NC(=N1)C2=C3C(=C4C(=C2)C5=CC=CC=C5O4)C6=C(N3C7=CC8=C(C=C7)N(C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1C=C6)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations