Geometry & MOs

Info

ID:	329672
PubChem CID:	126920585
Reduced:	N8C17H22 (1)
Stoich.:	A8B17C22 (1)
Weight, g/mol:	338.196743
ΔH_f, kcal/mol:	148.16
Dipole, Da:	9.79
IP(EA), eV:	-9.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

CN(CC1=C2CCCCN2N=C1)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations