Geometry & MOs

Info

ID:	126921
PubChem CID:	50984531
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	11.66
Dipole, Da:	5.03
IP(EA), eV:	-8.62(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-6-methyl-2-piperidin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(CCN1)NC=N2)COC3=CC=CC=C3

DOS

IR

Vibrations