Geometry & MOs

Info

ID:

439639

PubChem CID:

135229425

Reduced:

NO2H27C45 (1)

Stoich.:

AB2C27D45 (1)

Weight, g/mol:

639.256215

ΔHf, kcal/mol:

131.44

Dipole, Da:

2.49

IP(EA), eV:

 -7.89(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,9-dimethyl-10-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylacridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=CC=CC=C6C7=C5C=C(C=C7)N8C9=CC=CC=C9OC1=CC=CC=C18)C=CC1=CC=CC=C14

DOS

IR

Vibrations