Geometry & MOs

Info

ID:	253455
PubChem CID:	103118587
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	226.085461
ΔH_f, kcal/mol:	21.87
Dipole, Da:	5.97
IP(EA), eV:	-10.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-3-yl)-3-oxo-2-pyridin-2-ylpropanenitrile

Drug info:

PubChemData

Smile

CCCC(C#N)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations