Geometry & MOs

Info

ID:	372516
PubChem CID:	131299085
Reduced:	SO2N4C9H12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	212.058578
ΔH_f, kcal/mol:	8.59
Dipole, Da:	5.71
IP(EA), eV:	-9.29(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanoquinolin-2-yl)acetic acid

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(N=N1)SC(=C2)C(=O)O

DOS

IR

Vibrations