Geometry & MOs

Info

ID:	271962
PubChem CID:	103707181
Reduced:	BrFN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	269.9804
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	3.66
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(cyanomethyl)-4-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)C2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations