Geometry & MOs

Info

ID:	51098
PubChem CID:	12013722
Reduced:	N2O2Cl3H3C6 (1)
Stoich.:	A2B2C3D3E6 (1)
Weight, g/mol:	284.120115
ΔH_f, kcal/mol:	0.83
Dipole, Da:	3.61
IP(EA), eV:	-10.01(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2-methylphenyl)ethenyl]benzo[e][1]benzofuran

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Cl)N[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations