Geometry & MOs

Info

ID:	225107
PubChem CID:	85741772
Reduced:	NCl2O2H3C4 (1)
Stoich.:	AB2C2D3E4 (1)
Weight, g/mol:	278.82562
ΔH_f, kcal/mol:	-72.72
Dipole, Da:	1.24
IP(EA), eV:	-11.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3,3,3-trichloro-2-cyanopropanoic acid

Drug info:

PubChemData

Smile

C(C#N)C(C(=O)O)(Cl)Cl

DOS

IR

Vibrations