Geometry & MOs

Info

ID:	291947
PubChem CID:	113902001
Reduced:	NO3C13H27 (1)
Stoich.:	AB3C13D27 (1)
Weight, g/mol:	276.118401
ΔH_f, kcal/mol:	-155.82
Dipole, Da:	1.92
IP(EA), eV:	-9.03(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzoxathiin-2-yl)oct-7-en-1-one

Drug info:

PubChemData

Smile

C[C@H](C1CCCC1)NCC(COCCOC)O

DOS

IR

Vibrations