Geometry & MOs

Info

ID:	24959
PubChem CID:	615216
Reduced:	NOF3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	229.071448
ΔH_f, kcal/mol:	-174.63
Dipole, Da:	5.05
IP(EA), eV:	-9.73(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2,2-trifluoroethanone

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)C(F)(F)F

DOS

IR

Vibrations