Geometry & MOs

Info

ID:	335239
PubChem CID:	127254100
Reduced:	NO4C23H25 (1)
Stoich.:	AB4C23D25 (1)
Weight, g/mol:	434.278072
ΔH_f, kcal/mol:	-121.68
Dipole, Da:	5.5
IP(EA), eV:	-8.51(-0.14)
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-butylacetamide

Drug info:

PubChemData

Smile

C1CCC2(CCN([C@H](C2C1)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=CC=C5)O

DOS

IR

Vibrations