Geometry & MOs

Info

ID:	241408
PubChem CID:	96023367
Reduced:	FNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	2.74
IP(EA), eV:	-8.89(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[(1S)-2,2-dimethylcyclopropyl]-8-fluoro-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

CC1(C[C@H]1[C@@H]2C3=C(CCN2)C=CC(=C3F)O)C

DOS

IR

Vibrations