Geometry & MOs

Info

ID:	190965
PubChem CID:	78087966
Reduced:	O11C28H30 (1)
Stoich.:	A11B28C30 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-450.11
Dipole, Da:	2.64
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C2(O1)C3=C(CO2)C=CC(=C3)CC4=CC=C(C=C4)O)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations