Geometry & MOs

Info

ID:	341345
PubChem CID:	127264038
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	217.05753
ΔH_f, kcal/mol:	-50.84
Dipole, Da:	3.88
IP(EA), eV:	-9.35(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN(C=C1)C2CC2

DOS

IR

Vibrations