Geometry & MOs

Info

ID:	335323
PubChem CID:	127254185
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-141.06
Dipole, Da:	2.78
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@H]2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations