Geometry & MOs

Info

ID:	143839
PubChem CID:	53267525
Reduced:	BrClNO3C19H19 (1)
Stoich.:	ABCD3E19F19 (1)
Weight, g/mol:	365.04267
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	5.64
IP(EA), eV:	-8.52(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-(4-ethylphenoxy)propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=C(C=C(C=C2)Br)Cl)OCC

DOS

IR

Vibrations