Geometry & MOs

Info

ID:	241830
PubChem CID:	96024361
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	271.137242
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	1.85
IP(EA), eV:	-9.03(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-6,7-dimethyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-fluorophenol

Drug info:

PubChemData

Smile

CC1=C(C2=C(CCN[C@H]2C3=C(C=C(C=C3)F)O)C=C1)C

DOS

IR

Vibrations