Geometry & MOs

Info

ID:	173805
PubChem CID:	75686255
Reduced:	SO3N6C23H36 (1)
Stoich.:	AB3C6D23E36 (1)
Weight, g/mol:	456.228717
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	4.67
IP(EA), eV:	-9.01(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCC(C1C)N2C(=O)C3CCCCC3N4C2=NN=C4SC(C(C)C)C(=O)NC(=O)N

DOS

IR

Vibrations