Geometry & MOs

Info

ID:

428446

PubChem CID:

135167362

Reduced:

N2H42C65 (1)

Stoich.:

A2B42C65 (1)

Weight, g/mol:

964.38175

ΔHf, kcal/mol:

284.08

Dipole, Da:

0.66

IP(EA), eV:

 -7.71(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(9,9-diphenylfluoren-4-yl)-N-[2-(4-phenylphenyl)phenyl]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

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3N(C4=CC=C(C=C4)C5=CC=CC6=CC=CC=C65)C7=CC8=C9C(=C7)C1(C2=CC=CC=C2C2=CC=CC=C21)C1=CC=CC=C1N9C1=CC=CC=C18

DOS

IR

Vibrations