Geometry & MOs

Info

ID:	173325
PubChem CID:	75623200
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-51.27
Dipole, Da:	6.6
IP(EA), eV:	-8.85(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-(2-methylpropyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C=CC(=O)NCCC2=CC3=C(C(=C2)Cl)OCCO3

DOS

IR

Vibrations