Geometry & MOs

Info

ID:	349736
PubChem CID:	127275898
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	14.23
Dipole, Da:	1.41
IP(EA), eV:	-8.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylthiophen-3-yl)-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butane-1,4-dione

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NO1)C2CCCN(C2)C(=O)C3=CC4=C(N3)C=CC5=CC=CC=C54

DOS

IR

Vibrations