Geometry & MOs

Info

ID:	65592
PubChem CID:	46386656
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	445.183793
ΔH_f, kcal/mol:	36.21
Dipole, Da:	5.58
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC2=C(OC(=N2)C3=CC=CC(=C3)C)C)C

DOS

IR

Vibrations