Geometry & MOs

Info

ID:	335237
PubChem CID:	127254098
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-128.8
Dipole, Da:	2.25
IP(EA), eV:	-8.5(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2C3CCCCC3(CCN2)O)OC

DOS

IR

Vibrations