Geometry & MOs

Info

ID:	18802
PubChem CID:	548484
Reduced:	ON4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	174.054161
ΔH_f, kcal/mol:	62.05
Dipole, Da:	2.31
IP(EA), eV:	-10.17(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-4-yl-1H-1,2,4-triazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=CN=CC=C1C2=NNC(=N2)C=O

DOS

IR

Vibrations