Geometry & MOs

Info

ID:	445888
PubChem CID:	135269874
Reduced:	ON6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	123.38
Dipole, Da:	2.43
IP(EA), eV:	-8.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-5-[5-(azetidin-1-yl)-3-methyl-2H-1,3,4-oxadiazol-2-yl]-1-methyl-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=CN=CC=C3

DOS

IR

Vibrations