Geometry & MOs

Info

ID:

436734

PubChem CID:

135208656

Reduced:

OH24C40 (1)

Stoich.:

AB24C40 (1)

Weight, g/mol:

520.182715

ΔHf, kcal/mol:

141.26

Dipole, Da:

1.54

IP(EA), eV:

 -8.16(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=C6C(=CC7=CC=CC=C75)C8=CC9=CC=CC=C9C=C8O6

DOS

IR

Vibrations