Geometry & MOs

Info

ID:

439973

PubChem CID:

135229844

Reduced:

NOH41C60 (1)

Stoich.:

ABC41D60 (1)

Weight, g/mol:

955.381415

ΔHf, kcal/mol:

198.14

Dipole, Da:

1.63

IP(EA), eV:

 -8.18(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)-24-oxaheptacyclo[24.8.0.02,7.08,13.014,23.017,22.027,32]tetratriaconta-1(26),2(7),3,5,8,10,12,14(23),15,17,19,21,27,29,31,33-hexadecaen-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=C(C=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