Geometry & MOs

Info

ID:	380394
PubChem CID:	134970833
Reduced:	LiH4C7 (2)
Stoich.:	AB4C7 (2)
Weight, g/mol:	296.102174
ΔH_f, kcal/mol:	133.41
Dipole, Da:	3.73
IP(EA), eV:	-7.94(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-nitro-1-pyridin-3-ylethyl)-2H-triazol-4-yl]pyridine

Drug info:

PubChemData

Smile

[Li+].[Li+].C1=CC=C([C-]=C1)C#CC2=CC=CC=[C-]2

DOS

IR

Vibrations