Geometry & MOs

Info

ID:	261444
PubChem CID:	103234373
Reduced:	NBr2O2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	310.97688
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	2.99
IP(EA), eV:	-8.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromoanilino)methyl]-3,3,3-trifluoropropanoic acid

Drug info:

PubChemData

Smile

COC(=O)C(CNC1=CC=CC=C1Br)Br

DOS

IR

Vibrations