Geometry & MOs

Info

ID:	338472
PubChem CID:	127259164
Reduced:	ClINO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	293.081871
ΔH_f, kcal/mol:	-79.96
Dipole, Da:	1.35
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloroquinolin-8-yl)oxy-2-methylpropan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCCCOC1=C(C=C(C2=C1N=CC=C2)Cl)I

DOS

IR

Vibrations