Geometry & MOs

Info

ID:	375426
PubChem CID:	131529630
Reduced:	BrFNOH9C10 (1)
Stoich.:	ABCDE9F10 (1)
Weight, g/mol:	256.98515
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	1.9
IP(EA), eV:	-9.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-fluoro-2-propan-2-yloxybenzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1Br)F)CC#N

DOS

IR

Vibrations