Geometry & MOs

Info

ID:

435718

PubChem CID:

135192241

Reduced:

O3H38C67 (1)

Stoich.:

A3B38C67 (1)

Weight, g/mol:

795.252192

ΔHf, kcal/mol:

187.92

Dipole, Da:

0.93

IP(EA), eV:

 -8.15(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzofuran-4-yl-4-[(9Z)-11-methylidene-12-oxatetracyclo[11.8.0.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaen-14-yl]-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

C1C2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=C(C5=CC=CC=C54)C6=CC(=CC(=C6)C7=CC8=CC=CC=C8C9=C7OC1=C9C2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C2=C1OC1=C2C2=CC=CC=C2C=C1

DOS

IR

Vibrations