Geometry & MOs

Info

ID:	50268
PubChem CID:	12012784
Reduced:	BKF3N3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	190.084124
ΔH_f, kcal/mol:	-227.28
Dipole, Da:	12.76
IP(EA), eV:	-8.28(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (3R)-3-hydroxyhexanedioate

Drug info:

PubChemData

Smile

[B-]([C@H](CCCN=[N+]=[N-])C1=CC=CC=C1)(F)(F)F.[K+]

DOS

IR

Vibrations