Geometry & MOs

Info

ID:	241465
PubChem CID:	96023448
Reduced:	FNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	289.111422
ΔH_f, kcal/mol:	-132.77
Dipole, Da:	4.07
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-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