Geometry & MOs

Info

ID:	342161
PubChem CID:	127264874
Reduced:	OSN3H11C16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	292.078268
ΔH_f, kcal/mol:	64.88
Dipole, Da:	5.41
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C=CC3=C(C=NC=C3)C#N)SC1=O

DOS

IR

Vibrations