Geometry & MOs

Info

ID:	426616
PubChem CID:	135152152
Reduced:	NO2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	275.095771
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	3.82
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-hydroxypyran-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=COC(=CC3=O)CN4CC5=CC=CC=C5C4

DOS

IR

Vibrations