Geometry & MOs

Info

ID:	241501
PubChem CID:	96023497
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	261.152892
ΔH_f, kcal/mol:	-148.62
Dipole, Da:	1.79
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(cyclohexen-1-ylmethyl)-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CC(C1)([C@H]2C3=C(CCN2)C=CC(=C3F)O)C(=O)O

DOS

IR

Vibrations