Geometry & MOs

Info

ID:	340478
PubChem CID:	127262489
Reduced:	NOH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-11.96
Dipole, Da:	3.62
IP(EA), eV:	-8.43(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoethyl 2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1C=CC2=CC=CC=C2N1C(=O)OCCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations