Geometry & MOs

Info

ID:	241594
PubChem CID:	96023776
Reduced:	ClNOF2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	289.12782
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	5.35
IP(EA), eV:	-9.1(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-6-fluoro-1-[(5-fluoro-2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=CC(=C2F)O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations