Geometry & MOs

Info

ID:	31919
PubChem CID:	3723550
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	509.013251
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	3.83
IP(EA), eV:	-9.09(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[3-chloro-4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3CCOCC3)CC4=CC=CC=C4

DOS

IR

Vibrations