Geometry & MOs

Info

ID:	241333
PubChem CID:	96022869
Reduced:	FON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	238.111756
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	1.47
IP(EA), eV:	-8.44(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S)-6-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations