Geometry & MOs

Info

ID:	152081
PubChem CID:	56310934
Reduced:	F2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-232.42
Dipole, Da:	5.28
IP(EA), eV:	-8.49(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC=C2OC(F)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations