Geometry & MOs

Info

ID:	146595
PubChem CID:	53711640
Reduced:	N5O6C15H17 (1)
Stoich.:	A5B6C15D17 (1)
Weight, g/mol:	466.18279
ΔH_f, kcal/mol:	-188.75
Dipole, Da:	5.2
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-4-[3-[6-(2-methyl-1,3-dioxolan-2-yl)pyridazin-3-yl]propoxy]phenyl]-5-(trifluoromethyl)-5H-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COC(=O)C=CC3=CN=CN3)O)O

DOS

IR

Vibrations