Geometry & MOs

Info

ID:	19589
PubChem CID:	568581
Reduced:	NO2H5C8 (1)
Stoich.:	AB2C5D8 (1)
Weight, g/mol:	147.032028
ΔH_f, kcal/mol:	6.45
Dipole, Da:	5.79
IP(EA), eV:	-10.4(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynylpyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C#CC1=CN=C(C=C1)C(=O)O

DOS

IR

Vibrations