Geometry & MOs

Info

ID:	242080
PubChem CID:	96025613
Reduced:	ClFNC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	1.28
IP(EA), eV:	-8.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-5,8-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CC1=C2CCN[C@H](C2=C(C=C1)C)C3=C(C=CC(=C3)F)Cl

DOS

IR

Vibrations