Geometry & MOs

Info

ID:	220735
PubChem CID:	85230824
Reduced:	NO4C11H17 (1)
Stoich.:	AB4C11D17 (1)
Weight, g/mol:	227.098
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	3.32
IP(EA), eV:	-9.78(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-thiazol-2-yl)butyl butanoate

Drug info:

PubChemData

Smile

COC1C(N(C1=O)CCCC#C)C(CO)O

DOS

IR

Vibrations