Geometry & MOs

Info

ID:

439627

PubChem CID:

135229413

Reduced:

NO2H47C67 (1)

Stoich.:

AB2C47D67 (1)

Weight, g/mol:

881.32938

ΔHf, kcal/mol:

203.71

Dipole, Da:

2.91

IP(EA), eV:

 -8.04(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)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=C(C2=CC=CC=C2C1(C)C)/C(=C\C=C)/N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6O5)C7=CC8=C(C=C7)C9(C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC=CC=C18

DOS

IR

Vibrations