Geometry & MOs

Info

ID:	23200
PubChem CID:	602762
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-167.88
Dipole, Da:	1.02
IP(EA), eV:	-8.61(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(4-hydroxy-1,2-dimethyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CC(C2CCCCC2N1C)(C(=O)CCCO)O

DOS

IR

Vibrations