Geometry & MOs

Info

ID:

428227

PubChem CID:

135166559

Reduced:

N2H42C67 (1)

Stoich.:

A2B42C67 (1)

Weight, g/mol:

874.334799

ΔHf, kcal/mol:

292.77

Dipole, Da:

1.48

IP(EA), eV:

 -7.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylspiro[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]-2'-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C4N(C5=CC6=C(C=C5)C7=CC=CC=C7C=C6)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=CC=CC=C2N2C3=CC=CC=C3C3=C2C1=CC=C3

DOS

IR

Vibrations