Geometry & MOs

Info

ID:	432342
PubChem CID:	135172475
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	279.123736
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	5.15
IP(EA), eV:	-9.42(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-6-(6-chlorohexoxy)-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CNC(=O)CCCOCCC1=CC=CC=C1

DOS

IR

Vibrations