Geometry & MOs

Info

ID:	353080
PubChem CID:	127284237
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	5.03
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N2C(=N1)C=CN2)CC(=O)N3CCCN(CC3)C(=O)C4=CSC=C4

DOS

IR

Vibrations