Geometry & MOs

Info

ID:	369604
PubChem CID:	127334884
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	398.186652
ΔH_f, kcal/mol:	20.27
Dipole, Da:	6.63
IP(EA), eV:	-8.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)C(=O)CC3=C4C=CC=CC4=NN3

DOS

IR

Vibrations