Geometry & MOs

Info

ID:	26165
PubChem CID:	639744
Reduced:	N3O6C18H19 (1)
Stoich.:	A3B6C18D19 (1)
Weight, g/mol:	164.010959
ΔH_f, kcal/mol:	-139.9
Dipole, Da:	12.15
IP(EA), eV:	-9.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC=C(C=C2)OC(C)(C)C(=O)O

DOS

IR

Vibrations