Geometry & MOs

Info

ID:

439672

PubChem CID:

135229474

Reduced:

NOH29C45 (1)

Stoich.:

ABC29D45 (1)

Weight, g/mol:

715.287515

ΔHf, kcal/mol:

159.43

Dipole, Da:

0.54

IP(EA), eV:

 -8.02(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[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'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5(C6=C(C7=CC=CC=C7C=C6)OC8=C5C=CC9=CC=CC=C98)C1=CC=CC=C14

DOS

IR

Vibrations