Geometry & MOs

Info

ID:	445893
PubChem CID:	135269880
Reduced:	ON3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	426.180424
ΔH_f, kcal/mol:	54.48
Dipole, Da:	1.95
IP(EA), eV:	-9.26(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N=C1C(=N)OC(=N)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)N4CCNCC4

DOS

IR

Vibrations