Geometry & MOs

Info

ID:	3805
PubChem CID:	10233
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	4.89
IP(EA), eV:	-8.22(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC

DOS

IR

Vibrations