Geometry & MOs

Info

ID:	241324
PubChem CID:	96022737
Reduced:	FNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	287.095771
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	3.62
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations