Geometry & MOs

Info

ID:	258076
PubChem CID:	103150736
Reduced:	O2F3N3C13H20 (1)
Stoich.:	A2B3C3D13E20 (1)
Weight, g/mol:	235.093247
ΔH_f, kcal/mol:	-222.11
Dipole, Da:	5.94
IP(EA), eV:	-9.3(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CCOCC(F)(F)F)CNCCOC

DOS

IR

Vibrations