Geometry & MOs

Info

ID:	14281
PubChem CID:	407983
Reduced:	SN2O4C42H90 (1)
Stoich.:	AB2C4D42E90 (1)
Weight, g/mol:	718.662131
ΔH_f, kcal/mol:	-312.71
Dipole, Da:	3.64
IP(EA), eV:	-8.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,4-diethyl-1,4-dihexadecylpiperazine-1,4-diium;ethyl hydrogen sulfate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+]1(CC[N+](CC1)(CC)CCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)O

DOS

IR

Vibrations