Geometry & MOs

Info

ID:	157214
PubChem CID:	56422406
Reduced:	N2O4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-149.25
Dipole, Da:	5.36
IP(EA), eV:	-8.52(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-3-(4-propoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2OCCO2)C(=O)C3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations