Geometry & MOs

Info

ID:	76443
PubChem CID:	48424932
Reduced:	SN2F3O4C14H25 (1)
Stoich.:	AB2C3D4E14F25 (1)
Weight, g/mol:	414.187875
ΔH_f, kcal/mol:	-348.42
Dipole, Da:	10.55
IP(EA), eV:	-8.98(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)CC(=O)N1CCN(CC1)CCCOCC(F)(F)F

DOS

IR

Vibrations