Geometry & MOs

Info

ID:	216607
PubChem CID:	85086491
Reduced:	NO5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-240.33
Dipole, Da:	2.23
IP(EA), eV:	-9.9(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-methyl-3-oxo-1,2,5,6-tetrahydrobenzo[f]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(C=CC(=O)OC)O

DOS

IR

Vibrations