Geometry & MOs

Info

ID:	292955
PubChem CID:	117366879
Reduced:	BrFNO2H5C8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	244.94877
ΔH_f, kcal/mol:	-85.25
Dipole, Da:	2.21
IP(EA), eV:	-9.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-fluoro-4-(isocyanatomethyl)phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1O)CN=C=O)F)Br

DOS

IR

Vibrations