Geometry & MOs

Info

ID:	400044
PubChem CID:	135044767
Reduced:	BrLiH8C11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	45.7
Dipole, Da:	5.69
IP(EA), eV:	-8.01(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-3,6-dihydro-2H-oxepin-7-one

Drug info:

PubChemData

Smile

[Li+].CC1=C([C-]=CC2=CC=CC=C12)Br

DOS

IR

Vibrations