Geometry & MOs

Info

ID:	258041
PubChem CID:	103150260
Reduced:	OSF3N3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	231.118318
ΔH_f, kcal/mol:	-168.85
Dipole, Da:	7.25
IP(EA), eV:	-8.6(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-6-ethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=C2C=C(SC2=NC(=N1)CCOCC(F)(F)F)C

DOS

IR

Vibrations