Geometry & MOs

Info

ID:	421521
PubChem CID:	135116160
Reduced:	NSO4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-123.79
Dipole, Da:	5.98
IP(EA), eV:	-9.2(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations