Geometry & MOs

Info

ID:	270813
PubChem CID:	103638237
Reduced:	NCl2O2F3C12H14 (1)
Stoich.:	AB2C2D3E12F14 (1)
Weight, g/mol:	307.060232
ΔH_f, kcal/mol:	-242.39
Dipole, Da:	2.01
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)OCCN(CCO)CC(F)(F)F

DOS

IR

Vibrations