Geometry & MOs

Info

ID:	426980
PubChem CID:	135154857
Reduced:	PSN6O6C22H37 (1)
Stoich.:	ABC6D6E22F37 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-278.97
Dipole, Da:	2.14
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-2,5-dimethylpyrimidine

Drug info:

PubChemData

Smile

CCCSCC(C)(C=O)N[P@@](=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OCCC(=O)OC(C)C

DOS

IR

Vibrations