Geometry & MOs

Info

ID:

319439

PubChem CID:

126656036

Reduced:

ON2H34C52 (1)

Stoich.:

AB2C34D52 (1)

Weight, g/mol:

702.267114

ΔHf, kcal/mol:

202.64

Dipole, Da:

2.55

IP(EA), eV:

 -8.1(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(9-phenylcarbazol-3-yl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),5,7,11,15(24),16,18,20,22-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=C(C=CC5=CC=CC=C54)C6=C7C(=CC(=C63)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1O7

DOS

IR

Vibrations