Geometry & MOs

Info

ID:	241339
PubChem CID:	96023235
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	291.199843
ΔH_f, kcal/mol:	-60.9
Dipole, Da:	3.98
IP(EA), eV:	-8.74(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(4-propylcyclohexyl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)[C@H]2C3=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations