Geometry & MOs

Info

ID:	264743
PubChem CID:	103487489
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-86.44
Dipole, Da:	1.8
IP(EA), eV:	-8.74(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOCC(C)OC1CCCC2=CC=CC=C2C1NC

DOS

IR

Vibrations