Geometry & MOs

Info

ID:

428395

PubChem CID:

135167218

Reduced:

NH22C32 (2)

Stoich.:

AB22C32 (2)

Weight, g/mol:

800.319149

ΔHf, kcal/mol:

260.33

Dipole, Da:

2.5

IP(EA), eV:

 -7.62(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]-16-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=CC=C1C1=CC=CC=C1C1=CC=CC=C1)C

DOS

IR

Vibrations