Geometry & MOs

Info

ID:	21023
PubChem CID:	586798
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-131.32
Dipole, Da:	3.61
IP(EA), eV:	-9.39(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-hydroxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CC2CCCCC2CC1CCO

DOS

IR

Vibrations