Geometry & MOs

Info

ID:	167744
PubChem CID:	74868590
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-113.64
Dipole, Da:	8.0
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-ethylphenyl)prop-2-enoylamino]hexanoic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C=CC(=O)N2CCCCC2C(=O)O

DOS

IR

Vibrations