Geometry & MOs

Info

ID:	338481
PubChem CID:	127259173
Reduced:	ClNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	275.034921
ΔH_f, kcal/mol:	-69.85
Dipole, Da:	3.76
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloroquinolin-8-yl)oxyprop-2-ynyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC/C=C/OC1=C2C(=C(C=C1)Cl)C=CC=N2

DOS

IR

Vibrations