Geometry & MOs

Info

ID:	176368
PubChem CID:	76038361
Reduced:	BrSi2N5O5C35H50 (1)
Stoich.:	AB2C5D5E35F50 (1)
Weight, g/mol:	232.084792
ΔH_f, kcal/mol:	-220.47
Dipole, Da:	2.93
IP(EA), eV:	-8.69(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-amino-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C3=C(C(=NC(=N3)N)OCC4=CC=CC=C4)N=C2OC5=CC=C(C=C5)Br)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations