Geometry & MOs

Info

ID:	335245
PubChem CID:	127254106
Reduced:	NO4C26H33 (1)
Stoich.:	AB4C26D33 (1)
Weight, g/mol:	424.236208
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	4.25
IP(EA), eV:	-8.6(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2C3CCCCC3(CCN2C(=O)CCC4=CC=CC=C4)O

DOS

IR

Vibrations