Geometry & MOs

Info

ID:	242119
PubChem CID:	96026346
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	294.174356
ΔH_f, kcal/mol:	-72.3
Dipole, Da:	3.97
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[(1S)-8-fluoro-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-2-methylpropyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations