Geometry & MOs

Info

ID:	77773
PubChem CID:	49661383
Reduced:	O2N4H14C19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	94.48
Dipole, Da:	7.95
IP(EA), eV:	-9.07(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyridazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=NN(C=CC3=O)C4=CC=CC=C4

DOS

IR

Vibrations