Geometry & MOs

Info

ID:	335254
PubChem CID:	127254115
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-168.16
Dipole, Da:	6.07
IP(EA), eV:	-8.39(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2C3CCCCC3(CCN2CC(=O)N)O

DOS

IR

Vibrations