Geometry & MOs

Info

ID:	268494
PubChem CID:	103599647
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-53.91
Dipole, Da:	4.91
IP(EA), eV:	-8.39(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-anilinopiperidin-1-yl)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN(C)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations