Geometry & MOs

Info

ID:	410384
PubChem CID:	135083179
Reduced:	ClCrSiO5C19H25 (1)
Stoich.:	ABCD5E19F25 (1)
Weight, g/mol:	312.131234
ΔH_f, kcal/mol:	-43.99
Dipole, Da:	5.39
IP(EA), eV:	-6.46(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(2-chlorophenyl)-4,4-dimethyl-1-trimethylsilyloxypentan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C[C@@H](C1=CC=CC=C1Cl)O[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations