Geometry & MOs

Info

ID:	417784
PubChem CID:	135102763
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-113.38
Dipole, Da:	5.86
IP(EA), eV:	-8.78(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-8-(quinolin-5-ylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CC(=N3)N4CCC(CC4)O)C(=O)O

DOS

IR

Vibrations