Geometry & MOs

Info

ID:	396834
PubChem CID:	135029292
Reduced:	NF3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-288.31
Dipole, Da:	3.68
IP(EA), eV:	-9.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1R)-2-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC=CC1OCC(F)(F)F

DOS

IR

Vibrations