Geometry & MOs

Info

ID:	137760
PubChem CID:	52258434
Reduced:	FN2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	347.083683
ΔH_f, kcal/mol:	-94.56
Dipole, Da:	5.17
IP(EA), eV:	-8.85(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-[2-(2-cyano-3-fluoroanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)N(C)CC2=CC=CC=C2O

DOS

IR

Vibrations