Geometry & MOs

Info

ID:	85446
PubChem CID:	49875255
Reduced:	ON2H10C11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	211.030314
ΔH_f, kcal/mol:	11.72
Dipole, Da:	3.65
IP(EA), eV:	-10.4(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propanoyl-1H-thieno[2,3-b][1,4]oxazin-2-one

Drug info:

PubChemData

Smile

C1CC2=C(C=CC=N2)C(=O)C1CC#N

DOS

IR

Vibrations