Geometry & MOs

Info

ID:	242099
PubChem CID:	96026253
Reduced:	ClFNOC14H19 (1)
Stoich.:	ABCDE14F19 (1)
Weight, g/mol:	253.147807
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	3.09
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)CCCCCl)F

DOS

IR

Vibrations