Geometry & MOs

Info

ID:	180999
PubChem CID:	76713811
Reduced:	NO3C31H47 (1)
Stoich.:	AB3C31D47 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-161.51
Dipole, Da:	3.56
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-hydroxy-6-oxoheptyl)-3-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CCCCCC(C1CCCN(C1)C(=O)CC(CCC)CC2CCCC2)(C3=CC=CC4=C3OC=C4)O

DOS

IR

Vibrations