Geometry & MOs

Info

ID:	241302
PubChem CID:	96022591
Reduced:	FNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	225.116507
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	2.09
IP(EA), eV:	-8.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-8-fluoro-1-(2-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations