Geometry & MOs

Info

ID:	431286
PubChem CID:	135171357
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	318.124739
ΔH_f, kcal/mol:	-90.94
Dipole, Da:	4.79
IP(EA), eV:	-8.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-dimethyl-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CC=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations