Geometry & MOs

Info

ID:	241404
PubChem CID:	96023362
Reduced:	FNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	297.116507
ΔH_f, kcal/mol:	-52.75
Dipole, Da:	5.54
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-[(1S)-8-fluoro-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethenyl]benzaldehyde

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)/C=C/C3=CC=CC=C3C=O

DOS

IR

Vibrations