Geometry & MOs

Info

ID:	126771
PubChem CID:	50977764
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	246.090546
ΔH_f, kcal/mol:	73.72
Dipole, Da:	9.97
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-pyrazol-1-ylphenyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCN1C=CN=C1C2CC(=O)N=C3C2=CNN3CC4=CC=CS4

DOS

IR

Vibrations