Geometry & MOs

Info

ID:	43888
PubChem CID:	10321933
Reduced:	O2Cl3N3H14C22 (1)
Stoich.:	A2B3C3D14E22 (1)
Weight, g/mol:	458.048141
ΔH_f, kcal/mol:	28.51
Dipole, Da:	3.64
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-amine

Drug info:

PubChemData

Smile

COC1=NC(=NC(=C1C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl)OC4=CC=CC=N4

DOS

IR

Vibrations