Geometry & MOs

Info

ID:	420658
PubChem CID:	135114622
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-151.91
Dipole, Da:	3.14
IP(EA), eV:	-8.97(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4R)-4-methoxypiperidin-3-yl]-4,6-dimethylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COCCC(=O)N1CCC[C@]2(C1)CCC[C@H]2OC

DOS

IR

Vibrations