Geometry & MOs

Info

ID:	22154
PubChem CID:	596106
Reduced:	BrNO5H10C16 (1)
Stoich.:	ABC5D10E16 (1)
Weight, g/mol:	374.97424
ΔH_f, kcal/mol:	-41.52
Dipole, Da:	3.99
IP(EA), eV:	-9.09(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-6-bromo-3-nitro-2H-chromene

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3C(=CC4=C(O3)C=CC(=C4)Br)[N+](=O)[O-]

DOS

IR

Vibrations