Geometry & MOs

Info

ID:	262460
PubChem CID:	103293859
Reduced:	N5C9H13 (1)
Stoich.:	A5B9C13 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	89.53
Dipole, Da:	6.46
IP(EA), eV:	-9.0(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CNCCCC1=NN=C2N1N=CC=C2

DOS

IR

Vibrations