Geometry & MOs

Info

ID:	242103
PubChem CID:	96026284
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	3.44
IP(EA), eV:	-8.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-7-methoxy-1-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCN[C@@H]2C3=CC=NN3)C=C1)F

DOS

IR

Vibrations