Geometry & MOs

Info

ID:

439844

PubChem CID:

135229687

Reduced:

NOH45C63 (1)

Stoich.:

ABC45D63 (1)

Weight, g/mol:

833.365765

ΔHf, kcal/mol:

185.99

Dipole, Da:

1.34

IP(EA), eV:

 -8.07(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-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'-3,4-dihydrofluorene]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC4=C(C=C3)C(C5=CC=CC=C54)(C)C)C6=CC7=C(C=C6)C8(C9=C(C2=CC=CC=C2C=C9)OC2=C8C=CC3=CC=CC=C32)C2=CC=CC=C27)C2=CC=CC=C21)C

DOS

IR

Vibrations