Geometry & MOs

Info

ID:	335277
PubChem CID:	127254138
Reduced:	ClNO3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-163.49
Dipole, Da:	4.53
IP(EA), eV:	-8.56(0.1)
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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2C3CCCCC3(CCN2)O)O.Cl

DOS

IR

Vibrations