Geometry & MOs

Info

ID:	335268
PubChem CID:	127254129
Reduced:	NO3C20H29 (1)
Stoich.:	AB3C20D29 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-138.61
Dipole, Da:	1.98
IP(EA), eV:	-9.26(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-ethoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC=CC=C3OC)O

DOS

IR

Vibrations