Geometry & MOs

Info

ID:	342165
PubChem CID:	127264878
Reduced:	O2N3H11C16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	27.77
Dipole, Da:	2.0
IP(EA), eV:	-9.02(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(3-cyanopyridin-4-yl)ethenyl]-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)C=CC3=C(C=NC=C3)C#N

DOS

IR

Vibrations