Geometry & MOs

Info

ID:	184706
PubChem CID:	77195026
Reduced:	Cl2O2N5C16H23 (1)
Stoich.:	A2B2C5D16E23 (1)
Weight, g/mol:	389.138531
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	5.48
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(4-aminopiperidin-1-yl)methyl]-1,4,9-triazatricyclo[7.3.1.05,13]trideca-5(13),6-diene-2,8-dione;dihydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC1N)CC2CCN3C(=O)C=CC4=C3N2C(=O)C=N4.Cl.Cl

DOS

IR

Vibrations