Geometry & MOs

Info

ID:	170651
PubChem CID:	75263520
Reduced:	ClN3O3C16H18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	324.216141
ΔH_f, kcal/mol:	-6.0
Dipole, Da:	5.73
IP(EA), eV:	-9.52(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1-propyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C3CCCO3

DOS

IR

Vibrations