Geometry & MOs

Info

ID:	320166
PubChem CID:	126658517
Reduced:	ClOSF3N5H9C15 (1)
Stoich.:	ABCD3E5F9G15 (1)
Weight, g/mol:	437.198238
ΔH_f, kcal/mol:	-45.26
Dipole, Da:	8.35
IP(EA), eV:	-9.72(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3-chloro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]-3-cyclohexa-2,4-dien-1-ylphenyl]methyl]-N-propan-2-ylpropan-2-amine

Drug info:

PubChemData

Smile

C1CC(=NN2C1=NN=C2Cl)OC3=C(C=CC(=C3)C(F)(F)F)C4=CSC=N4

DOS

IR

Vibrations