Geometry & MOs

Info

ID:	358797
PubChem CID:	127296665
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	-121.5
Dipole, Da:	2.19
IP(EA), eV:	-9.33(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylidenepiperidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations