Geometry & MOs

Info

ID:	83827
PubChem CID:	49861616
Reduced:	ClO3N4C23H41 (1)
Stoich.:	AB3C4D23E41 (1)
Weight, g/mol:	427.271403
ΔH_f, kcal/mol:	-194.6
Dipole, Da:	3.34
IP(EA), eV:	-8.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(3-aminocyclohexyl)piperazin-1-yl]butyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione;hydrochloride

Drug info:

PubChemData

Smile

CCCCOC1CCCCC1N2CCN(CC2)CCCN3C(=O)C4CCCN4C3=O.Cl

DOS

IR

Vibrations