Geometry & MOs

Info

ID:	445942
PubChem CID:	135269983
Reduced:	O2N6H20C21 (1)
Stoich.:	A2B6C20D21 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	41.57
Dipole, Da:	6.64
IP(EA), eV:	-8.47(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1C2=CN=C(C(=N2)C3N(N=C(O3)C4=CC=CC=C4)C)N

DOS

IR

Vibrations