Geometry & MOs

Info

ID:	193689
PubChem CID:	78424357
Reduced:	SO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	310.249452
ΔH_f, kcal/mol:	18.71
Dipole, Da:	6.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949572
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)C[NH+]2CCOCC2)C3=CC=CS3

DOS

IR

Vibrations