Geometry & MOs

Info

ID:	258085
PubChem CID:	103150774
Reduced:	ClOF2N2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	301.196569
ΔH_f, kcal/mol:	-123.52
Dipole, Da:	3.39
IP(EA), eV:	-10.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine

Drug info:

PubChemData

Smile

C1=CN=C(N=C1CCl)CCOCC(F)F

DOS

IR

Vibrations