Geometry & MOs

Info

ID:	359791
PubChem CID:	127299835
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-17.44
Dipole, Da:	3.26
IP(EA), eV:	-9.24(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NCC3COCCO3

DOS

IR

Vibrations