Geometry & MOs

Info

ID:	80494
PubChem CID:	49834740
Reduced:	NO2F3C28H30 (1)
Stoich.:	AB2C3D28E30 (1)
Weight, g/mol:	298.111756
ΔH_f, kcal/mol:	-213.7
Dipole, Da:	4.23
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethoxy)-8-fluoro-3-phenyl-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@@H]3CCC(C3)C4=CC(=C(C=C4)CCC(=O)OC)C(F)(F)F

DOS

IR

Vibrations