Geometry & MOs

Info

ID:	230516
PubChem CID:	87571197
Reduced:	Si2O3C11H23 (1)
Stoich.:	A2B3C11D23 (1)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751305
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(3,3-dimethyl-5-oxocyclohexylidene)-3-hydroxybutanedinitrile

Drug info:

PubChemData

Smile

CCC/C(=C\[Si](C)C)/C(=O)OO[Si](C)(C)C

DOS

IR

Vibrations