Geometry & MOs

Info

ID:	155533
PubChem CID:	56365869
Reduced:	ON3C12H14 (2)
Stoich.:	AB3C12D14 (2)
Weight, g/mol:	483.252192
ΔH_f, kcal/mol:	31.57
Dipole, Da:	7.79
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(1-benzoylpiperidin-4-yl)-N-propyl-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C=NN=N4

DOS

IR

Vibrations