Geometry & MOs

Info

ID:	165431
PubChem CID:	74548500
Reduced:	OSN6C20H27 (1)
Stoich.:	ABC6D20E27 (1)
Weight, g/mol:	261.196688
ΔH_f, kcal/mol:	101.82
Dipole, Da:	7.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993363
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclohex-3-en-1-ylmethyl)-4-(furan-2-ylmethyl)piperazin-1-ium

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=NN=N2)C(C3=CC=CS3)N4CC[NH+](CC4)CC5=CC=CO5

DOS

IR

Vibrations