Geometry & MOs

Info

ID:

439724

PubChem CID:

135229527

Reduced:

NOH41C63 (1)

Stoich.:

ABC41D63 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

229.55

Dipole, Da:

0.63

IP(EA), eV:

 -7.95(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)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]-3'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC=C4C5=CC=CC=C5)C6=CC7=C(C=C6)C8(C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC=CC=C17

DOS

IR

Vibrations