Geometry & MOs

Info

ID:	242126
PubChem CID:	96026413
Reduced:	FNOSC16H16 (1)
Stoich.:	ABCDE16F16 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	2.37
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chloropyridin-4-yl)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=CC(=CC=C3)S)F

DOS

IR

Vibrations