Geometry & MOs

Info

ID:

319467

PubChem CID:

126656124

Reduced:

ON5H41C61 (1)

Stoich.:

AB5C41D61 (1)

Weight, g/mol:

768.288912

ΔHf, kcal/mol:

281.84

Dipole, Da:

1.65

IP(EA), eV:

 -8.2(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14Z)-16-methylidene-14-(9-phenylcarbazol-2-yl)-12-(4-phenylquinazolin-2-yl)-23-oxa-12-azapentacyclo[11.11.0.02,11.03,8.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21-decaene

Drug info:

PubChemData

Smile

C1C=CC=CC1N2C3=CC=CC=C3C4=C2C=C(C=C4)C5=CC=C(C=C5)N6C7C=CC8=CC=CC=C8C7C9=C1C(=CC(=C96)C2=NC(=NC(=N2)C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2O1

DOS

IR

Vibrations