Geometry & MOs

Info

ID:	241347
PubChem CID:	96023269
Reduced:	FNOC19H20 (1)
Stoich.:	ABCD19E20 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-58.53
Dipole, Da:	2.45
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CC=C2[C@H]3C4=C(CCN3)C=CC(=C4F)O

DOS

IR

Vibrations