Geometry & MOs

Info

ID:	54496
PubChem CID:	17388775
Reduced:	BrON2H19C23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	222.080456
ΔH_f, kcal/mol:	49.54
Dipole, Da:	2.48
IP(EA), eV:	-8.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[2-(2-fluorophenoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2=CC=C(C=C2)Br)C3=C(C4=C(C=CC=N4)C=C3)O

DOS

IR

Vibrations