Geometry & MOs

Info

ID:	402672
PubChem CID:	135056810
Reduced:	NO2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	213.08235
ΔH_f, kcal/mol:	-122.13
Dipole, Da:	3.24
IP(EA), eV:	-9.32(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-(2-propyl-4H-1,3-thiazol-5-ylidene)acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@@H](C)[C@H](C)O

DOS

IR

Vibrations