Geometry & MOs

Info

ID:	335236
PubChem CID:	127254097
Reduced:	N2O2C31H42 (1)
Stoich.:	A2B2C31D42 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-75.94
Dipole, Da:	4.25
IP(EA), eV:	-8.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2,4-dimethoxyphenyl)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)[C@H]2C3CCCCC3(CCN2C(=O)/C=C/C4=CC=C(C=C4)C(C)C)O

DOS

IR

Vibrations