Geometry & MOs

Info

ID:	71465
PubChem CID:	48414920
Reduced:	ON5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	45.36
Dipole, Da:	5.97
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-but-3-ynylpiperazin-1-yl)-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=N1)N3CCCCCC3=N2)C(=O)N4CCN(CC4)CCC#C

DOS

IR

Vibrations