Geometry & MOs

Info

ID:	335276
PubChem CID:	127254137
Reduced:	NO2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	313.144471
ΔH_f, kcal/mol:	-145.9
Dipole, Da:	2.06
IP(EA), eV:	-8.79(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(4-hydroxy-3-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CO4)O

DOS

IR

Vibrations