Geometry & MOs

Info

ID:	335234
PubChem CID:	127254095
Reduced:	NO4C29H37 (1)
Stoich.:	AB4C29D37 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-136.82
Dipole, Da:	5.46
IP(EA), eV:	-7.9(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/C(=O)N2CCC3(CCCCC3[C@@H]2C4=CC(=C(C=C4)OC)OC)O

DOS

IR

Vibrations