Geometry & MOs

Info

ID:	149939
PubChem CID:	53789621
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	200.045151
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	3.64
IP(EA), eV:	-8.71(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-1-chlorohexane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1N[C@@H](C)C(=O)OCCC#N)C)C

DOS

IR

Vibrations