Geometry & MOs

Info

ID:	335278
PubChem CID:	127254139
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-121.51
Dipole, Da:	3.96
IP(EA), eV:	-8.54(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-4a-hydroxy-1-(4-methoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2C3CCCCC3(CCN2)O)O

DOS

IR

Vibrations