Geometry & MOs

Info

ID:	373148
PubChem CID:	131310732
Reduced:	NOBr2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	299.9409
ΔH_f, kcal/mol:	8.4
Dipole, Da:	3.98
IP(EA), eV:	-9.53(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-6-fluoro-2-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1O)Br)Br)CC#N

DOS

IR

Vibrations