Geometry & MOs

Info

ID:	338490
PubChem CID:	127259182
Reduced:	SN3O4C11H11 (1)
Stoich.:	AB3C4D11E11 (1)
Weight, g/mol:	276.074621
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	6.81
IP(EA), eV:	-9.23(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-nitroquinolin-8-yl)oxyethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations