Geometry & MOs

Info

ID:	123347
PubChem CID:	50843646
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	61.65
Dipole, Da:	3.23
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(3,4-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-pentylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations