Geometry & MOs

Info

ID:

440004

PubChem CID:

135229875

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

897.36068

ΔHf, kcal/mol:

187.05

Dipole, Da:

2.65

IP(EA), eV:

 -8.09(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-3-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-13,10'-6,7-dihydro-5H-benzo[a]azulene]-7'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC5=C(C=C4)C(C6=CC=CC=C65)(C)C)C7=CC8=C(C=C7)C9(C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC=CC=C18)C

DOS

IR

Vibrations