Geometry & MOs

Info

ID:	211444
PubChem CID:	80951197
Reduced:	ClF3N3H11C13 (1)
Stoich.:	AB3C3D11E13 (1)
Weight, g/mol:	267.150225
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	1.94
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(4,4-dimethylpiperidin-1-yl)-2-propan-2-ylpyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=N1)Cl)NC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations