Geometry & MOs

Info

ID:	373464
PubChem CID:	131315685
Reduced:	FNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	221.025898
ΔH_f, kcal/mol:	-79.42
Dipole, Da:	3.91
IP(EA), eV:	-9.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyano-5-methylimidazo[5,1-b][1,3]thiazol-3-yl)acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1C2(CCC2)C#N)O)F

DOS

IR

Vibrations