Geometry & MOs

Info

ID:	292954
PubChem CID:	117366873
Reduced:	BrFNO2H5C8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	244.94877
ΔH_f, kcal/mol:	-77.11
Dipole, Da:	5.64
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-2-(isocyanatomethyl)phenol

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=C1Br)F)CC#N)O)O

DOS

IR

Vibrations