Geometry & MOs

Info

ID:	262456
PubChem CID:	103293748
Reduced:	N7C9H13 (1)
Stoich.:	A7B9C13 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	104.55
Dipole, Da:	2.64
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CCCNC1=NN(C(=N1)N)C2=NN=CC=C2

DOS

IR

Vibrations