Geometry & MOs

Info

ID:	386815
PubChem CID:	134983026
Reduced:	FeO7H18C19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	250.138906
ΔH_f, kcal/mol:	-186.26
Dipole, Da:	5.22
IP(EA), eV:	-7.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,6Z,7R)-6-(trimethylsilylmethylidene)-2-oxatricyclo[5.4.0.01,5]undecan-8-one

Drug info:

PubChemData

Smile

C[C@H]([CH]/C=C/C(=O)[C@@H](C)[C@H](C1=CC=CC=C1)O)O[C-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

DOS

IR

Vibrations