Geometry & MOs

Info

ID:	329629
PubChem CID:	126920403
Reduced:	ON8C18H18 (1)
Stoich.:	AB8C18D18 (1)
Weight, g/mol:	360.144707
ΔH_f, kcal/mol:	130.49
Dipole, Da:	5.66
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]quinoxaline-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)N(C)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations