Geometry & MOs

Info

ID:	335240
PubChem CID:	127254101
Reduced:	N2O5C24H38 (1)
Stoich.:	A2B5C24D38 (1)
Weight, g/mol:	454.246772
ΔH_f, kcal/mol:	-218.68
Dipole, Da:	2.33
IP(EA), eV:	-8.59(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCC2(CCCCC2[C@@H]1C3=CC(=C(C(=C3)OC)OC)OC)O

DOS

IR

Vibrations