Geometry & MOs

Info

ID:	289677
PubChem CID:	104366045
Reduced:	ClNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	268.032479
ΔH_f, kcal/mol:	7.09
Dipole, Da:	3.12
IP(EA), eV:	-8.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-8-methyl-3,7,8,10-tetrahydro-2H-thiepino[4,3-g][1]benzofuran-6-one

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2C=C3CNC3)Cl

DOS

IR

Vibrations