Geometry & MOs

Info

ID:	12893
PubChem CID:	147878
Reduced:	NO2H4C7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	268.048407
ΔH_f, kcal/mol:	8.5
Dipole, Da:	7.33
IP(EA), eV:	-9.29(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-nitro-[1]benzofuro[5,4-e][1,3]benzoxazole

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC3=C2C=CC4=C3C=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations