Geometry & MOs

Info

ID:	431287
PubChem CID:	135171358
Reduced:	ClON4C16H19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	351.114983
ΔH_f, kcal/mol:	11.47
Dipole, Da:	4.45
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(3S,4R)-3-fluoro-4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)C)N2CCC(CC2)OC3=CN=CC=C3

DOS

IR

Vibrations