Geometry & MOs

Info

ID:	372130
PubChem CID:	131293534
Reduced:	BrClINO2H4C7 (1)
Stoich.:	ABCDE2F4G7 (1)
Weight, g/mol:	239.093773
ΔH_f, kcal/mol:	29.56
Dipole, Da:	4.96
IP(EA), eV:	-9.99(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-3-methylbutan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CBr)[N+](=O)[O-])I)Cl

DOS

IR

Vibrations