Geometry & MOs

Info

ID:	329646
PubChem CID:	126920501
Reduced:	SN7C12H13 (1)
Stoich.:	AB7C12D13 (1)
Weight, g/mol:	315.217144
ΔH_f, kcal/mol:	159.95
Dipole, Da:	8.49
IP(EA), eV:	-9.11(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(2-piperidin-1-ylethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=NC=CS4

DOS

IR

Vibrations