Geometry & MOs

Info

ID:	241426
PubChem CID:	96023393
Reduced:	ClFON3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	250.057612
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	3.66
IP(EA), eV:	-9.17(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-(1,3-thiazol-5-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)C3=CN=C(C=N3)Cl

DOS

IR

Vibrations