Geometry & MOs

Info

ID:	258080
PubChem CID:	103150751
Reduced:	F2O2N3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	291.155847
ΔH_f, kcal/mol:	-152.04
Dipole, Da:	5.14
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)CCOCC(F)F

DOS

IR

Vibrations