Geometry & MOs

Info

ID:	310826
PubChem CID:	126587939
Reduced:	FIO3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	379.05832
ΔH_f, kcal/mol:	-131.98
Dipole, Da:	2.87
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-bromo-4-ethylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C)OCC2=C(C=CC=C2I)CC(=O)OC)F

DOS

IR

Vibrations