Geometry & MOs

Info

ID:	27292
PubChem CID:	820382
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-53.87
Dipole, Da:	4.46
IP(EA), eV:	-8.69(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations