Geometry & MOs

Info

ID:	3512
PubChem CID:	9740
Reduced:	NO2C3H3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	85.016378
ΔH_f, kcal/mol:	-56.42
Dipole, Da:	3.06
IP(EA), eV:	-11.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanoacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations