Geometry & MOs

Info

ID:	261503
PubChem CID:	103236862
Reduced:	NO2Br3F3H7C10 (1)
Stoich.:	AB2C3D3E7F10 (1)
Weight, g/mol:	278.962062
ΔH_f, kcal/mol:	-212.04
Dipole, Da:	2.9
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4,6-trichloroanilino)methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)NCC(C(=O)O)C(F)(F)F)Br)Br

DOS

IR

Vibrations