Geometry & MOs

Info

ID:	357650
PubChem CID:	127294323
Reduced:	OF3N7C16H18 (1)
Stoich.:	AB3C7D16E18 (1)
Weight, g/mol:	365.157578
ΔH_f, kcal/mol:	-71.39
Dipole, Da:	6.26
IP(EA), eV:	-9.53(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(trifluoromethyl)-6-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C3=NN4C(=NN=C4C(F)(F)F)C=C3)C

DOS

IR

Vibrations