Geometry & MOs

Info

ID:	445869
PubChem CID:	135269846
Reduced:	OF3N5H16C20 (1)
Stoich.:	AB3C5D16E20 (1)
Weight, g/mol:	476.253589
ΔH_f, kcal/mol:	-49.83
Dipole, Da:	2.42
IP(EA), eV:	-8.55(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-1-methyl-5-[3-methyl-5-(2-propoxyphenyl)-2H-1,3,4-oxadiazol-2-yl]-2H-pyrazin-3-yl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(=N/C(=C(/N)\N=C)/C1=NN=C(O1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations