Geometry & MOs

Info

ID:	396709
PubChem CID:	135029059
Reduced:	NF2H23C24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	363.108228
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	4.61
IP(EA), eV:	-9.43(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[8-(trifluoromethoxy)phenanthridin-6-yl]propanoate

Drug info:

PubChemData

Smile

C1CCC2[C@@H](C1)C(=C3[C@H](CC(C3=N2)(F)F)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations