Geometry & MOs

Info

ID:	363064
PubChem CID:	127310095
Reduced:	F3O3N4C12H13 (1)
Stoich.:	A3B3C4D12E13 (1)
Weight, g/mol:	379.221954
ΔH_f, kcal/mol:	-252.9
Dipole, Da:	5.8
IP(EA), eV:	-9.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)CN2C=CC=NC2=O)CC(F)(F)F

DOS

IR

Vibrations