Geometry & MOs

Info

ID:	23201
PubChem CID:	602763
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-114.74
Dipole, Da:	4.48
IP(EA), eV:	-8.83(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations