Geometry & MOs

Info

ID:	335291
PubChem CID:	127254152
Reduced:	ClN2O5C24H33 (1)
Stoich.:	AB2C5D24E33 (1)
Weight, g/mol:	428.231122
ΔH_f, kcal/mol:	-212.27
Dipole, Da:	2.82
IP(EA), eV:	-9.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-(2,4-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2CC(=O)NCC4=CC=CO4)O)OC.Cl

DOS

IR

Vibrations