Geometry & MOs

Info

ID:

442471

PubChem CID:

135252313

Reduced:

OH26C44 (1)

Stoich.:

AB26C44 (1)

Weight, g/mol:

636.20893

ΔHf, kcal/mol:

153.73

Dipole, Da:

1.02

IP(EA), eV:

 -8.31(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[10-(8,10-dihydropyren-1-yl)anthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C=CC=C3C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC8=C(C=C7)C9=C(O8)C=CC1=CC=CC=C19

DOS

IR

Vibrations