Geometry & MOs

Info

ID:	216221
PubChem CID:	85085911
Reduced:	NO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	1.99
IP(EA), eV:	-10.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethenyl-5-ethyl-4-oxo-4aH-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=C[N+](=O)[O-])C(C)(C1CCCOC1=O)O

DOS

IR

Vibrations