Geometry & MOs

Info

ID:	329664
PubChem CID:	126920558
Reduced:	N4C7H8 (2)
Stoich.:	A4B7C8 (2)
Weight, g/mol:	329.232794
ΔH_f, kcal/mol:	158.99
Dipole, Da:	7.35
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations