Geometry & MOs

Info

ID:

439772

PubChem CID:

135229592

Reduced:

NOH55C89 (1)

Stoich.:

ABC55D89 (1)

Weight, g/mol:

791.318815

ΔHf, kcal/mol:

351.91

Dipole, Da:

1.99

IP(EA), eV:

 -7.91(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-3-yl)-N-(4-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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)N(C5=CC=C(C=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21)C1=CC2=C(C=C1)C1(C3=CC=CC=C3C3=CC=CC=C31)C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations