Geometry & MOs

Info

ID:	75646
PubChem CID:	48423790
Reduced:	FNSO2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	2.45
IP(EA), eV:	-8.66(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCSC2=C1C=C(C=C2)F)OCC3CC3

DOS

IR

Vibrations