Geometry & MOs

Info

ID:	10223
PubChem CID:	99065
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	8.4
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2,3-dimethyl-5-(2-nitroethenyl)-1-benzofuran

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C(=C2)OC)C=C[N+](=O)[O-])C

DOS

IR

Vibrations