Geometry & MOs

Info

ID:	214050
PubChem CID:	81065924
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	269.116427
ΔH_f, kcal/mol:	-166.34
Dipole, Da:	9.76
IP(EA), eV:	-9.95(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-cyanoquinolin-2-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations