Geometry & MOs

Info

ID:	335361
PubChem CID:	127254223
Reduced:	NO4C26H35 (1)
Stoich.:	AB4C26D35 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-140.25
Dipole, Da:	4.33
IP(EA), eV:	-8.4(0.36)
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-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCC3(CCCCC3[C@@H]2C4=CC(=C(C(=C4)OC)OC)OC)O

DOS

IR

Vibrations