Geometry & MOs

Info

ID:

428907

PubChem CID:

135168422

Reduced:

N2H48C71 (1)

Stoich.:

A2B48C71 (1)

Weight, g/mol:

978.361014

ΔHf, kcal/mol:

292.44

Dipole, Da:

1.8

IP(EA), eV:

 -7.7(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-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]-10-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC5=C(C=C4)N6C7=CC=CC=C7C8=C6C(=CC=C8)C59C1=CC=CC=C1C1=CC=CC=C91)C1=CC=CC2=C1C1=CC=CC=C1C2(C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations