Geometry & MOs

Info

ID:	241298
PubChem CID:	96022534
Reduced:	NCl2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	275.11217
ΔH_f, kcal/mol:	19.73
Dipole, Da:	2.77
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-8-fluoro-1-[(2-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C=C[C@@H]1C2=C(CCN1)C=C(C=C2Cl)Cl

DOS

IR

Vibrations