Geometry & MOs

Info

ID:	242104
PubChem CID:	96026285
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-19.88
Dipole, Da:	3.71
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(1S)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C2CCN[C@@H](C2=C1)C3=CC=NN3)F

DOS

IR

Vibrations