Geometry & MOs

Info

ID:	441982
PubChem CID:	135247359
Reduced:	ON4H24C36 (1)
Stoich.:	AB4C24D36 (1)
Weight, g/mol:	449.177964
ΔH_f, kcal/mol:	174.78
Dipole, Da:	1.01
IP(EA), eV:	-8.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-2-yl]methanamine

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C3=CC=CC=C3C(=C2C4=NC5=CC=CC=C5O4)C6=NC(=NC(=N6)C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations