Geometry & MOs

Info

ID:	241474
PubChem CID:	96023459
Reduced:	FNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	-60.86
Dipole, Da:	3.24
IP(EA), eV:	-8.76(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1R)-cyclohex-3-en-1-yl]-6-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)[C@H]2C3=C(CCN2)C=CC(=C3F)O

DOS

IR

Vibrations