Geometry & MOs

Info

ID:

439773

PubChem CID:

135229593

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

194.59

Dipole, Da:

1.35

IP(EA), eV:

 -7.86(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-N-(2-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=CC=C(C=C3)C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=C(C2=CC=CC=C2C=C9)OC2=C8C=CC3=CC=CC=C32)C2=CC=CC=C21)C

DOS

IR

Vibrations