Geometry & MOs

Info

ID:

439630

PubChem CID:

135229416

Reduced:

NOSH35C57 (1)

Stoich.:

ABCD35E57 (1)

Weight, g/mol:

639.256215

ΔHf, kcal/mol:

210.48

Dipole, Da:

2.88

IP(EA), eV:

 -7.74(-0.77)

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]-3'-ylacridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C(S3)C=C(C=C4)C5=CC=CC=C5)C6=CC7=C(C=C6)C8(C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=CC=C17

DOS

IR

Vibrations