Geometry & MOs

Info

ID:	159861
PubChem CID:	57288828
Reduced:	O3C32H40 (1)
Stoich.:	A3B32C40 (1)
Weight, g/mol:	330.064983
ΔH_f, kcal/mol:	-95.33
Dipole, Da:	8.44
IP(EA), eV:	-8.56(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridin-2-yl]butanamide

Drug info:

PubChemData

Smile

CC(C=CC(=CC(=O)O)C)C1CC1C2=CC3=C(C=C2OCC4=CC=CC=C4)C(CCC3(C)C)(C)C

DOS

IR

Vibrations