Geometry & MOs

Info

ID:	150878
PubChem CID:	53790575
Reduced:	NO4H23C27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	311.88197
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	9.39
IP(EA), eV:	-9.04(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dibromo-4,5,7,7a-tetrahydro-3aH-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC(=C(C=C2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C)C

DOS

IR

Vibrations