Geometry & MOs

Info

ID:	241467
PubChem CID:	96023451
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	289.111422
ΔH_f, kcal/mol:	-132.08
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-[(S)-hydroxy-(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@H](C2=C1C=CC(=C2F)O)[C@@H](C3=CC=C(C=C3)O)O

DOS

IR

Vibrations