Geometry & MOs

Info

ID:	261502
PubChem CID:	103236856
Reduced:	NO2Br3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	468.79585
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	4.84
IP(EA), eV:	-9.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-[(2,4,6-tribromoanilino)methyl]propanoic acid

Drug info:

PubChemData

Smile

C1CC1C(C(=O)O)NC2=C(C=C(C=C2Br)Br)Br

DOS

IR

Vibrations