Geometry & MOs

Info

ID:	335214
PubChem CID:	127254075
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	3.71
IP(EA), eV:	-9.27(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=CC=C3)O

DOS

IR

Vibrations