Geometry & MOs

Info

ID:	17556
PubChem CID:	504432
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	384.161997
ΔH_f, kcal/mol:	10.28
Dipole, Da:	2.76
IP(EA), eV:	-8.54(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-methylsulfanyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC4=C(C=C3)N=C(O4)SC

DOS

IR

Vibrations