Geometry & MOs

Info

ID:

439826

PubChem CID:

135229669

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

195.09

Dipole, Da:

2.11

IP(EA), eV:

 -7.89(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(3-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]-2'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C5=CC=CC=C5C46C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC2=CC=CC=C29)C2=CC=CC(=C2)C2=CC=CC=C2)C2=CC=CC=C21)C

DOS

IR

Vibrations