Geometry & MOs

Info

ID:	241473
PubChem CID:	96023458
Reduced:	FNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	2.74
IP(EA), eV:	-8.74(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-cyclohex-3-en-1-yl]-8-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