Geometry & MOs

Info

ID:	359792
PubChem CID:	127299836
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	2.06
Dipole, Da:	7.33
IP(EA), eV:	-9.22(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(C=C2)NCC3COCCO3

DOS

IR

Vibrations