Geometry & MOs

Info

ID:	335344
PubChem CID:	127254206
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	333.157623
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	1.62
IP(EA), eV:	-8.7(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R)-1-(1,3-benzodioxol-5-yl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C)O

DOS

IR

Vibrations