Geometry & MOs

Info

ID:	71697
PubChem CID:	48415225
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-25.3
Dipole, Da:	3.76
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(4-but-3-ynylpiperazin-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations