Geometry & MOs

Info

ID:	431016
PubChem CID:	135171086
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	3.55
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations