Geometry & MOs

Info

ID:	12614
PubChem CID:	141853
Reduced:	NOSH5C7 (1)
Stoich.:	ABCD5E7 (1)
Weight, g/mol:	151.009185
ΔH_f, kcal/mol:	23.52
Dipole, Da:	3.23
IP(EA), eV:	-9.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-thiophen-2-ylpropanenitrile

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CC#N

DOS

IR

Vibrations