Geometry & MOs

Info

ID:	372548
PubChem CID:	131299566
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	205.048741
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-6-(1H-pyrazol-4-yl)-3H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=CC(=C(C=C2CO1)O)CCCC#N

DOS

IR

Vibrations