Geometry & MOs

Info

ID:	335307
PubChem CID:	127254169
Reduced:	NO7C28H33 (1)
Stoich.:	AB7C28D33 (1)
Weight, g/mol:	416.267508
ΔH_f, kcal/mol:	-218.88
Dipole, Da:	6.13
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-hexylacetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC5=C(C=C4)OCO5)O

DOS

IR

Vibrations