Geometry & MOs

Info

ID:	268480
PubChem CID:	103599556
Reduced:	O3N4H20C24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	406.164105
ΔH_f, kcal/mol:	22.5
Dipole, Da:	2.93
IP(EA), eV:	-8.74(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(furan-2-yl)-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C=N2)NC(=O)C(=CC3=CC=CO3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations