Geometry & MOs

Info

ID:	335258
PubChem CID:	127254119
Reduced:	N2O3C27H36 (1)
Stoich.:	A2B3C27D36 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-114.18
Dipole, Da:	6.51
IP(EA), eV:	-8.04(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations