Geometry & MOs

Info

ID:	431298
PubChem CID:	135171369
Reduced:	ClO3N6C34H37 (1)
Stoich.:	AB3C6D34E37 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	5.8
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[5-methyl-6-[4-(6-methylpyridin-3-yl)oxypiperidin-1-yl]pyridazin-3-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2=NC=C(C=C2)CN3CCCCC3)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)CNCCO)Cl

DOS

IR

Vibrations