Geometry & MOs

Info

ID:	342711
PubChem CID:	127265871
Reduced:	OSN2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	227.051718
ΔH_f, kcal/mol:	32.09
Dipole, Da:	3.15
IP(EA), eV:	-8.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(6-methylpyrazin-2-yl)ethenyl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)C=CC2=CC(=C(C=C2)OC)SC

DOS

IR

Vibrations