Geometry & MOs

Info

ID:	26658
PubChem CID:	794478
Reduced:	O4H5N5C10 (1)
Stoich.:	A4B5C5D10 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	-6.45
Dipole, Da:	4.49
IP(EA), eV:	-10.41(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-(4-nitrophenyl)-5,7-dihydro-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1[N+](=O)[O-])N=C3C(=NC(=O)NC3=O)N2

DOS

IR

Vibrations