Geometry & MOs

Info

ID:	338465
PubChem CID:	127259157
Reduced:	ClN2O5C9H9 (1)
Stoich.:	AB2C5D9E9 (1)
Weight, g/mol:	418.97852
ΔH_f, kcal/mol:	-111.81
Dipole, Da:	3.57
IP(EA), eV:	-9.98(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-7-iodoquinolin-8-yl)oxy-2-methylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(C=C(C=N1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations