Geometry & MOs

Info

ID:	400640
PubChem CID:	135048568
Reduced:	LiCl2H5C7 (1)
Stoich.:	AB2C5D7 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	6.87
Dipole, Da:	7.42
IP(EA), eV:	-7.28(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(acetyloxymethyl)prop-2-enyl]-2-oxocycloheptane-1-carboxylate

Drug info:

PubChemData

Smile

[Li+].C1=CC(=CC=C1[CH-]Cl)Cl

DOS

IR

Vibrations