Geometry & MOs

Info

ID:	122984
PubChem CID:	50829491
Reduced:	ON7C22H25 (1)
Stoich.:	AB7C22D25 (1)
Weight, g/mol:	480.238608
ΔH_f, kcal/mol:	117.11
Dipole, Da:	7.51
IP(EA), eV:	-8.9(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylphenyl)-5-[2-[6-[4-(3-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN3C(=NN=C3CCC4=NC(=NO4)C5=CC=CC=C5C)C=C2

DOS

IR

Vibrations