Geometry & MOs

Info

ID:	342751
PubChem CID:	127265914
Reduced:	N3O3H9C14 (1)
Stoich.:	A3B3C9D14 (1)
Weight, g/mol:	307.062473
ΔH_f, kcal/mol:	51.07
Dipole, Da:	2.91
IP(EA), eV:	-10.25(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-chloro-2-(1,2,4-triazol-1-yl)phenyl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1O)C=CC2=C(C=NC=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations