Geometry & MOs

Info

ID:	335317
PubChem CID:	127254179
Reduced:	ClNO3C17H26 (1)
Stoich.:	ABC3D17E26 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	3.41
IP(EA), eV:	-8.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(3-ethoxy-4-hydroxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@H]2C3CCCCC3(CCN2)O)O.Cl

DOS

IR

Vibrations