Geometry & MOs

Info

ID:	213931
PubChem CID:	81065562
Reduced:	NSO6C10H19 (1)
Stoich.:	ABC6D10E19 (1)
Weight, g/mol:	283.132077
ΔH_f, kcal/mol:	-280.99
Dipole, Da:	7.44
IP(EA), eV:	-10.24(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-cyanoquinolin-4-yl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCS(=O)(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations