Geometry & MOs

Info

ID:	317995
PubChem CID:	126648237
Reduced:	BrClPN3O9C21H26 (1)
Stoich.:	ABCD3E9F21G26 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-431.94
Dipole, Da:	4.42
IP(EA), eV:	-9.39(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-benzyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C(=O)C=CNC2=O)(Cl)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations