Geometry & MOs

Info

ID:	341805
PubChem CID:	127264498
Reduced:	BrO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	326.104226
ΔH_f, kcal/mol:	-5.58
Dipole, Da:	5.94
IP(EA), eV:	-9.6(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]-2-fluoro-5-methylbenzamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC2=NN=C(N21)Br

DOS

IR

Vibrations