Geometry & MOs

Info

ID:

439675

PubChem CID:

135229477

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

675.256215

ΔHf, kcal/mol:

194.3

Dipole, Da:

0.79

IP(EA), eV:

 -7.91(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-(4-phenylphenyl)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'-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=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)C

DOS

IR

Vibrations