Geometry & MOs

Info

ID:	400407
PubChem CID:	135047801
Reduced:	IrB2F8C18H25 (1)
Stoich.:	AB2C8D18E25 (1)
Weight, g/mol:	297.133813
ΔH_f, kcal/mol:	-543.8
Dipole, Da:	14.36
IP(EA), eV:	-6.41(-2.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-1,3-dimethoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]-3-oxoprop-1-en-1-olate

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.[B-](F)(F)(F)F.CC1=CC=CC=C1C.CC1=C([C](C(=C1C)C)C)C.[Ir]

DOS

IR

Vibrations