Geometry & MOs

Info

ID:	329658
PubChem CID:	126920546
Reduced:	SN8C12H14 (1)
Stoich.:	AB8C12D14 (1)
Weight, g/mol:	336.181093
ΔH_f, kcal/mol:	160.1
Dipole, Da:	4.97
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NSC(=N1)N(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations