Geometry & MOs

Info

ID:	67937
PubChem CID:	46507471
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	342.07712
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	3.53
IP(EA), eV:	-8.35(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-amino-2-(4-chlorophenyl)quinolin-4-yl]oxyacetate

Drug info:

PubChemData

Smile

COC(=O)COC1=CC(=NC2=C1C=C(C=C2)N)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations