Geometry & MOs

Info

ID:	413294
PubChem CID:	135086242
Reduced:	NO4C21H31 (1)
Stoich.:	AB4C21D31 (1)
Weight, g/mol:	229.073893
ΔH_f, kcal/mol:	-183.34
Dipole, Da:	2.8
IP(EA), eV:	-9.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-ethenyl-2-oxo-1H-quinoline-6-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C=C)N(C(=O)OCC1=CC=CC=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations