Geometry & MOs

Info

ID:	375415
PubChem CID:	131529587
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	218.080376
ΔH_f, kcal/mol:	-29.74
Dipole, Da:	5.48
IP(EA), eV:	-9.22(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,5-dimethyl-1,2,4-triazol-3-yl)pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=CC(C(=O)N=C2C=C1)C(CN)O

DOS

IR

Vibrations