Geometry & MOs

Info

ID:	122981
PubChem CID:	50829488
Reduced:	SO4N5H19C25 (1)
Stoich.:	AB4C5D19E25 (1)
Weight, g/mol:	411.157436
ΔH_f, kcal/mol:	17.07
Dipole, Da:	2.79
IP(EA), eV:	-9.09(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CC6=CC=NC=C6)OCO5

DOS

IR

Vibrations