Geometry & MOs

Info

ID:	335310
PubChem CID:	127254172
Reduced:	N2O3C19H28 (1)
Stoich.:	A2B3C19D28 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-132.92
Dipole, Da:	3.08
IP(EA), eV:	-8.92(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2CC(=O)N)O

DOS

IR

Vibrations