Geometry & MOs

Info

ID:	329682
PubChem CID:	126920675
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	369.152493
ΔH_f, kcal/mol:	63.14
Dipole, Da:	8.16
IP(EA), eV:	-9.3(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1CN(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations