Geometry & MOs

Info

ID:	342160
PubChem CID:	127264873
Reduced:	N4H14C17 (1)
Stoich.:	A4B14C17 (1)
Weight, g/mol:	293.062283
ΔH_f, kcal/mol:	131.34
Dipole, Da:	5.24
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=N1)C=CC3=C(C=NC=C3)C#N

DOS

IR

Vibrations