Geometry & MOs

Info

ID:	177427
PubChem CID:	76184313
Reduced:	ClN2O3H13C18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	386.080013
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	5.51
IP(EA), eV:	-8.3(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-3-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)C3=C(C4C=CC(=CC4=NC3=O)Cl)O

DOS

IR

Vibrations