Geometry & MOs

Info

ID:	241406
PubChem CID:	96023365
Reduced:	FNO2H16C18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	235.137242
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	1.28
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)/C=C/C3=CC=CC=C3C=O

DOS

IR

Vibrations