Geometry & MOs

Info

ID:	138488
PubChem CID:	52372812
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	-23.86
Dipole, Da:	5.66
IP(EA), eV:	-8.71(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1CC(=O)NC2=C1C=CC(=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C5CC5

DOS

IR

Vibrations