Geometry & MOs

Info

ID:	241412
PubChem CID:	96023372
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-68.92
Dipole, Da:	4.53
IP(EA), eV:	-8.79(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C[C@@H]1[C@H]2C3=CC(=C(C=C3CCN2)F)O)C

DOS

IR

Vibrations