Geometry & MOs

Info

ID:	431312
PubChem CID:	135171383
Reduced:	NC17H35 (1)
Stoich.:	AB17C35 (1)
Weight, g/mol:	444.02139
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	1.43
IP(EA), eV:	-8.58(3.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[4-(6-iodopyridin-3-yl)oxypiperidin-1-yl]-2,5-dimethylpyrimidine

Drug info:

PubChemData

Smile

CCCCCC(C)[C@@H]1CCC[C@H](C1)NCCCC

DOS

IR

Vibrations