Geometry & MOs

Info

ID:	344457
PubChem CID:	127267633
Reduced:	FON3C8H11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	353.125467
ΔH_f, kcal/mol:	-100.1
Dipole, Da:	2.8
IP(EA), eV:	-9.19(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(F)F)C)CC(=O)N2CCN(CC2)CC3=NC(=NO3)C

DOS

IR

Vibrations