Geometry & MOs

Info

ID:	294659
PubChem CID:	117479751
Reduced:	BrNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	297.00006
ΔH_f, kcal/mol:	-92.16
Dipole, Da:	4.49
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-(1-isocyanatocyclopentyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=C(C(=C(C=C2)Br)O)O)N=C=O

DOS

IR

Vibrations