Geometry & MOs

Info

ID:	190966
PubChem CID:	78088018
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	9.05
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-but-2-ynyl-4a-ethoxycarbonyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C(C2)CC(=O)O)CC#C

DOS

IR

Vibrations