Geometry & MOs

Info

ID:	242114
PubChem CID:	96026336
Reduced:	ClFON2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-33.18
Dipole, Da:	5.32
IP(EA), eV:	-8.86(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(6-chloropyridin-2-yl)-6-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@@H]2C3=NC(=CC=C3)Cl)C=C1)F

DOS

IR

Vibrations