Geometry & MOs

Info

ID:	294658
PubChem CID:	117479750
Reduced:	BrNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	297.00006
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	2.92
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-6-(1-isocyanatocyclopentyl)benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)C1=C(C2=C(C=C1CN=C=O)OCO2)Br

DOS

IR

Vibrations