Geometry & MOs

Info

ID:	335282
PubChem CID:	127254143
Reduced:	NO2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-156.79
Dipole, Da:	4.66
IP(EA), eV:	-7.88(0.12)
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]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)C4=C(C=C(C=C4)OC)OC)O

DOS

IR

Vibrations