Geometry & MOs

Info

ID:	441819
PubChem CID:	135245296
Reduced:	N4H34C51 (1)
Stoich.:	A4B34C51 (1)
Weight, g/mol:	449.177964
ΔH_f, kcal/mol:	254.34
Dipole, Da:	4.84
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)naphthalen-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC(=C2C3=C1C=C(C=C3)C4=CC=C(C=C4)C5=C(C6=CC=CC=C6C7=CC=CC=C75)C8=NC(=NC(=N8)C9=CC=CC=C9)C1=CC=CC=C1)C#N)C

DOS

IR

Vibrations