Geometry & MOs

Info

ID:	173786
PubChem CID:	75682865
Reduced:	SN2O3C8H19 (1)
Stoich.:	AB2C3D8E19 (1)
Weight, g/mol:	263.248724
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	9.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754800
Charge, e:	1

Chem-info

IUPAC name:

1-(cyclohex-3-en-1-ylmethyl)-4-cyclohexylpiperazin-4-ium

Drug info:

PubChemData

Smile

CN(C)CC[NH2+]C1CS(=O)(=O)CC1O

DOS

IR

Vibrations