Geometry & MOs

Info

ID:

52133

PubChem CID:

12014921

Reduced:

NSiC6H14 (1)

Stoich.:

ABC6D14 (1)

Weight, g/mol:

238.138051

ΔHf, kcal/mol:

-3.88

Dipole, Da:

1.75

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.755809

Charge, e:

0

Chem-info

IUPAC name:

ethyl 3-ethyl-2,2-difluoro-3-hydroxy-5-methylhexanoate

Drug info:

PubChemData

Smile

C[Si](C)N1CCCC1

DOS

IR

Vibrations