Geometry & MOs

Info

ID:	140857
PubChem CID:	52771365
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	0.96
IP(EA), eV:	-9.4(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C(C)(C)C)CN1CCCC1=O

DOS

IR

Vibrations