Geometry & MOs

Info

ID:	77777
PubChem CID:	49661410
Reduced:	O2N5H11C17 (1)
Stoich.:	A2B5C11D17 (1)
Weight, g/mol:	344.127326
ΔH_f, kcal/mol:	115.96
Dipole, Da:	9.51
IP(EA), eV:	-9.51(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC(=O)C(=N2)C3=NC(=NO3)C4=CC=NC=C4

DOS

IR

Vibrations