Geometry & MOs

Info

ID:	138370
PubChem CID:	52356947
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	361.168936
ΔH_f, kcal/mol:	-131.83
Dipole, Da:	6.76
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[3-(4-fluorophenoxy)propyl]-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-4-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H](C)N2C[C@H](C3=C(C=CC(=C3C2)OC)OC)O

DOS

IR

Vibrations