Geometry & MOs

Info

ID:	241452
PubChem CID:	96023431
Reduced:	ClFNOH15C16 (1)
Stoich.:	ABCDE15F16 (1)
Weight, g/mol:	287.132157
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	4.84
IP(EA), eV:	-8.87(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN[C@H](C2=CC(=C(C=C21)F)O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations