Geometry & MOs

Info

ID:	241476
PubChem CID:	96023461
Reduced:	FNOC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	247.137242
ΔH_f, kcal/mol:	-67.22
Dipole, Da:	2.16
IP(EA), eV:	-8.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-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=CC(=C(C=C3CCN2)F)O

DOS

IR

Vibrations