Geometry & MOs

Info

ID:	320165
PubChem CID:	126658516
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	399.016843
ΔH_f, kcal/mol:	97.36
Dipole, Da:	7.09
IP(EA), eV:	-8.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-chloro-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-4-(trifluoromethyl)phenyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=NN=C2N1N=C(C=C2)OC3=C(C=C(C=C3)CN4CCCCC4)C5=CC=CC=C5

DOS

IR

Vibrations