Geometry & MOs

Info

ID:	76652
PubChem CID:	48425195
Reduced:	F3N3O3C17H28 (1)
Stoich.:	A3B3C3D17E28 (1)
Weight, g/mol:	404.112996
ΔH_f, kcal/mol:	-313.81
Dipole, Da:	4.24
IP(EA), eV:	-8.61(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations