Geometry & MOs

Info

ID:	241300
PubChem CID:	96022582
Reduced:	NOF2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	273.116507
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	2.41
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[4-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=CC(=C(C=C21)F)O)CC3=CC=CC=C3F

DOS

IR

Vibrations