Geometry & MOs

Info

ID:	396746
PubChem CID:	135029140
Reduced:	NO2F3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	297.116507
ΔH_f, kcal/mol:	-200.28
Dipole, Da:	6.73
IP(EA), eV:	-9.49(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-fluoro-2-(2-methylphenanthridin-6-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)C1=NC2=C(C=CC(=C2)C(F)(F)F)C3=CC=CC=C31

DOS

IR

Vibrations