Geometry & MOs

Info

ID:	241309
PubChem CID:	96022629
Reduced:	FNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	291.08262
ΔH_f, kcal/mol:	-59.88
Dipole, Da:	2.54
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H]2C3=C(CCN2)C=CC(=C3F)O)C

DOS

IR

Vibrations