Geometry & MOs

Info

ID:	242120
PubChem CID:	96026347
Reduced:	FN2O2C16H23 (1)
Stoich.:	AB2C2D16E23 (1)
Weight, g/mol:	264.163791
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	3.23
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6-fluoro-7-methoxy-1-[(2S)-piperidin-2-yl]-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H]1C2=C(CCN1)C=CC(=C2F)OC)NC(=O)C

DOS

IR

Vibrations