Geometry & MOs

Info

ID:	75689
PubChem CID:	48423851
Reduced:	N2O3C17H28 (1)
Stoich.:	A2B3C17D28 (1)
Weight, g/mol:	418.177168
ΔH_f, kcal/mol:	-120.29
Dipole, Da:	3.35
IP(EA), eV:	-9.44(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC(C1)C(=O)NCC2CC2)OCC3CC3

DOS

IR

Vibrations