Geometry & MOs

Info

ID:	403835
PubChem CID:	135062077
Reduced:	FO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	165.095378
ΔH_f, kcal/mol:	-229.54
Dipole, Da:	3.13
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-fluoro-3-methyl-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC1(O[C@@H]2[C@H]([C@@H](O[C@@H]2O1)[C@@H](COCC3=CC=CC=C3)OCC4=CC=CC=C4)O/C=C/C5=CC=C(C=C5)F)C

DOS

IR

Vibrations