Geometry & MOs

Info

ID:	333837
PubChem CID:	127252389
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	271.179696
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	3.6
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

Drug info:

PubChemData

Smile

C1COCC(CN1C(=O)C2=CC=CC=N2)CC3=NC=CC=N3

DOS

IR

Vibrations