Geometry & MOs

Info

ID:

428839

PubChem CID:

135168287

Reduced:

N2H50C71 (1)

Stoich.:

A2B50C71 (1)

Weight, g/mol:

928.38175

ΔHf, kcal/mol:

293.49

Dipole, Da:

0.98

IP(EA), eV:

 -8.06(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)spiro[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]-4'-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=CC5=C4C6C=CC=CC6C5(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC1=C9C2=CC=CC=C2C11C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3)C

DOS

IR

Vibrations