Geometry & MOs

Info

ID:	241378
PubChem CID:	96023318
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-51.81
Dipole, Da:	3.3
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(E)-3-(dimethylamino)prop-1-enyl]-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CN(C)C/C=C/[C@@H]1C2=CC(=C(C=C2CCN1)F)O

DOS

IR

Vibrations