Geometry & MOs

Info

ID:	410972
PubChem CID:	135083776
Reduced:	LiOC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	232.14633
ΔH_f, kcal/mol:	-66.05
Dipole, Da:	4.98
IP(EA), eV:	-8.62(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4E)-2,6-dimethylhepta-4,6-dien-2-yl]-4-ethenyl-2H-furan-5-one

Drug info:

PubChemData

Smile

[Li+].CC/C=C\CC[O-]

DOS

IR

Vibrations