Geometry & MOs

Info

ID:	221855
PubChem CID:	85291434
Reduced:	BrSeC8H15 (1)
Stoich.:	ABC8D15 (1)
Weight, g/mol:	270.146724
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	2.29
IP(EA), eV:	-8.34(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,6,9a-trimethyl-2-oxo-3,4,4a,7,8,9-hexahydropyrano[3,2-b]oxepin-7-yl) acetate

Drug info:

PubChemData

Smile

CCCCC(=C[Se]CC)Br

DOS

IR

Vibrations