Geometry & MOs

Info

ID:	431279
PubChem CID:	135171350
Reduced:	OF3N3C25H28 (1)
Stoich.:	AB3C3D25E28 (1)
Weight, g/mol:	304.109089
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	6.51
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methyl-6-(4-pyridin-3-yloxypiperidin-1-yl)pyrimidine

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC=CC=C2)C(=O)C3=CC4=C(N3)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations