Geometry & MOs

Info

ID:	399095
PubChem CID:	135037734
Reduced:	ClSi2O3C14H29 (1)
Stoich.:	AB2C3D14E29 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-246.8
Dipole, Da:	3.8
IP(EA), eV:	-9.1(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-cyano-2-phenylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=C/C(=C\CCCCl)/O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations