Geometry & MOs

Info

ID:	201836
PubChem CID:	79591704
Reduced:	SN2O3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	285.074956
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	5.68
IP(EA), eV:	-9.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)COC2=C(C3=CC=CC=C3N=C2)C(=O)O

DOS

IR

Vibrations