Geometry & MOs

Info

ID:	335345
PubChem CID:	127254207
Reduced:	NO5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	409.225308
ΔH_f, kcal/mol:	-196.06
Dipole, Da:	3.45
IP(EA), eV:	-8.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(2-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC(=O)N1CCC2(CCCCC2[C@@H]1C3=CC4=C(C=C3)OCO4)O

DOS

IR

Vibrations