Geometry & MOs

Info

ID:	241316
PubChem CID:	96022678
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	1.0
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations