Geometry & MOs

Info

ID:	225106
PubChem CID:	85741764
Reduced:	Br2F2H2O2C3 (1)
Stoich.:	A2B2C2D2E3 (1)
Weight, g/mol:	166.954084
ΔH_f, kcal/mol:	-164.19
Dipole, Da:	2.55
IP(EA), eV:	-11.15(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dichloro-3-cyanopropanoic acid

Drug info:

PubChemData

Smile

C(C(=O)O)(C(F)(Br)Br)F

DOS

IR

Vibrations