Geometry & MOs

Info

ID:	142194
PubChem CID:	52998801
Reduced:	O2N5C27H37 (1)
Stoich.:	A2B5C27D37 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	9.6
IP(EA), eV:	-8.59(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1CC(=O)NCCN2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations