Geometry & MOs

Info

ID:	253451
PubChem CID:	103118558
Reduced:	OSN3H11C15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	231.046633
ΔH_f, kcal/mol:	89.94
Dipole, Da:	6.81
IP(EA), eV:	-9.19(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)C(C#N)C3=CC=CS3

DOS

IR

Vibrations