Geometry & MOs

Info

ID:	52191
PubChem CID:	12014993
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	446.95038
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	4.3
IP(EA), eV:	-9.16(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5,7-dibromoquinolin-8-yl)oxy-2-ethoxypropanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/OC1=CC=CC2=C1N=C(C=C2)C

DOS

IR

Vibrations