Geometry & MOs

Info

ID:	130241
PubChem CID:	51075357
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	312.08116
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	2.64
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=NC(=NO2)COC3=CC=C(C=C3)F

DOS

IR

Vibrations