Geometry & MOs

Info

ID:	14540
PubChem CID:	414077
Reduced:	N2O4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	232.048407
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	6.17
IP(EA), eV:	-9.77(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-nitroquinolin-6-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC(=C2C(=C1)C=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations