Geometry & MOs

Info

ID:	314430
PubChem CID:	126621795
Reduced:	BrNSO2H12C22 (1)
Stoich.:	ABCD2E12F22 (1)
Weight, g/mol:	389.105193
ΔH_f, kcal/mol:	92.54
Dipole, Da:	3.5
IP(EA), eV:	-8.6(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-nitronaphthalen-1-yl)naphtho[2,1-b][1]benzofuran

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CC4=C3C=CC(=C4)C5=C(C=CC(=C5)Br)[N+](=O)[O-]

DOS

IR

Vibrations