Geometry & MOs

Info

ID:	173750
PubChem CID:	75678749
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	389.207647
ΔH_f, kcal/mol:	-125.98
Dipole, Da:	7.42
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6,7-dimethoxy-2-oxo-3-(3-phenylpropylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-olate

Drug info:

PubChemData

Smile

C1CC2=C(C(C3C(=N2)NNC3=O)C4=CC=C(C=C4)OCC(=O)O)C(=O)C1

DOS

IR

Vibrations