Geometry & MOs

Info

ID:	445969
PubChem CID:	135270142
Reduced:	ON7H17C20 (1)
Stoich.:	AB7C17D20 (1)
Weight, g/mol:	461.197551
ΔH_f, kcal/mol:	114.92
Dipole, Da:	6.0
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-amino-6-[5-[(1E,3Z,5Z)-hepta-1,3,5-trienyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-fluorophenyl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)NC1=NC2=CC=CC=C2N1)\N=C(C=C)C3=C(C=NC=C3)C#N)/N

DOS

IR

Vibrations