Geometry & MOs

Info

ID:	151805
PubChem CID:	56310614
Reduced:	ON2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-60.61
Dipole, Da:	2.93
IP(EA), eV:	-7.85(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)N4CCCCC4

DOS

IR

Vibrations