Geometry & MOs

Info

ID:	391347
PubChem CID:	135004441
Reduced:	NPO3C28H28 (1)
Stoich.:	ABC3D28E28 (1)
Weight, g/mol:	269.068808
ΔH_f, kcal/mol:	-85.34
Dipole, Da:	3.34
IP(EA), eV:	-9.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-6-nitro-1-benzofuran

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(C2=CC=CC=C2)P(=O)(OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations