Geometry & MOs

Info

ID:	382743
PubChem CID:	134974069
Reduced:	SiO2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	158.13068
ΔH_f, kcal/mol:	-174.64
Dipole, Da:	1.05
IP(EA), eV:	-8.74(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-hydroxy-4,5,5-trimethylhexan-3-one

Drug info:

PubChemData

Smile

CC1=C[C@@H]2C[C@@H](C[C@@H]2C1CO)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations