Geometry & MOs

Info

ID:	71251
PubChem CID:	48414522
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	-47.75
Dipole, Da:	1.58
IP(EA), eV:	-8.87(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations