Geometry & MOs

Info

ID:

439969

PubChem CID:

135229840

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

980.401816

ΔHf, kcal/mol:

201.05

Dipole, Da:

0.73

IP(EA), eV:

 -7.97(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-[3-(9,9-dimethylfluoren-3-yl)-3-(9,9'-spirobi[fluorene]-2-yl)propyl]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]

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=CC(=C4)C5=CC=CC=C5)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C

DOS

IR

Vibrations