Geometry & MOs

Info

ID:	411466
PubChem CID:	135084297
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	311.99972
ΔH_f, kcal/mol:	41.54
Dipole, Da:	6.56
IP(EA), eV:	-9.55(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-bromo-3-oxo-1H-2-benzofuran-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C/C=O)/N=[N+]=[N-]

DOS

IR

Vibrations