Geometry & MOs

Info

ID:	371819
PubChem CID:	131273201
Reduced:	BrClNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	225.057198
ΔH_f, kcal/mol:	-45.03
Dipole, Da:	4.53
IP(EA), eV:	-10.24(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylsulfanylethyl)-5,6-dihydro-2H-[1,2]oxazolo[4,5-b][1,4]oxazine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1CCl)C#N)Br

DOS

IR

Vibrations