Geometry & MOs

Info

ID:	208155
PubChem CID:	80501727
Reduced:	SN5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	103.12
Dipole, Da:	0.82
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]acetamide

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)SC2=NC=CN2C)CC

DOS

IR

Vibrations