Geometry & MOs

Info

ID:	59125
PubChem CID:	24771116
Reduced:	NO6C11H11 (1)
Stoich.:	AB6C11D11 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-145.66
Dipole, Da:	7.3
IP(EA), eV:	-9.24(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,4-dihydroxyphenyl)-3-piperidin-1-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(=O)OCC[N+](=O)[O-])O)O

DOS

IR

Vibrations