Geometry & MOs

Info

ID:

439715

PubChem CID:

135229518

Reduced:

NO2H47C72 (1)

Stoich.:

AB2C47D72 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

217.16

Dipole, Da:

1.33

IP(EA), eV:

 -7.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-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=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC6=C5OC7=CC=CC=C67)C8=CC=CC(=C8)C9=CC1=C(C=C9)C2=CC=CC=C2C11C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C

DOS

IR

Vibrations