Geometry & MOs

Info

ID:	126779
PubChem CID:	50978273
Reduced:	OSN8C10H14 (1)
Stoich.:	ABC8D10E14 (1)
Weight, g/mol:	369.264094
ΔH_f, kcal/mol:	85.2
Dipole, Da:	6.03
IP(EA), eV:	-9.38(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrazol-1-yl-6-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCNCC(=O)NC2=NC=CN=C2

DOS

IR

Vibrations