Geometry & MOs

Info

ID:	49113
PubChem CID:	11528724
Reduced:	N3O5C8H11 (1)
Stoich.:	A3B5C8D11 (1)
Weight, g/mol:	229.063997
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	5.23
IP(EA), eV:	-9.68(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3-cyanophenyl)ethynyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H](O[C@@H](O1)CO)N2C=CC(=NC2=O)NO

DOS

IR

Vibrations