Geometry & MOs

Info

ID:	79107
PubChem CID:	49746808
Reduced:	O3N7H17C20 (1)
Stoich.:	A3B7C17D20 (1)
Weight, g/mol:	325.092337
ΔH_f, kcal/mol:	88.89
Dipole, Da:	2.65
IP(EA), eV:	-8.89(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NNC(=C2)C(=O)N3CC(C3)C4=NC(=NO4)C5=NC=CN=C5

DOS

IR

Vibrations