Geometry & MOs

Info

ID:

448812

PubChem CID:

135293746

Reduced:

SN2H32C50 (1)

Stoich.:

AB2C32D50 (1)

Weight, g/mol:

688.287849

ΔHf, kcal/mol:

223.65

Dipole, Da:

2.03

IP(EA), eV:

 -7.95(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-1'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(SC3=CC=CC=C32)C4=CC=C(C=C4)C5=C6C(=CC=C5)C7=CC=CC=C7C68C9=CC=CC=C9N1C2=CC=CC=C2C2=C1C8=CC=C2

DOS

IR

Vibrations