Geometry & MOs

Info

ID:	258078
PubChem CID:	103150745
Reduced:	OF2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	291.155847
ΔH_f, kcal/mol:	-89.48
Dipole, Da:	6.07
IP(EA), eV:	-9.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC1NCC2=CN=C(N=C2)CCOCC(F)F

DOS

IR

Vibrations