Geometry & MOs

Info

ID:

442472

PubChem CID:

135252317

Reduced:

OH14C24 (2)

Stoich.:

AB14C24 (2)

Weight, g/mol:

636.20893

ΔHf, kcal/mol:

200.47

Dipole, Da:

1.35

IP(EA), eV:

 -8.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene

Drug info:

PubChemData

Smile

C1C=CC2=C3C1=CCC4=C(C=CC(=C43)C=C2)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC9=C(C=C8)OC1=C9C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations