Geometry & MOs

Info

ID:	140281
PubChem CID:	52674578
Reduced:	OSN2C20H28 (1)
Stoich.:	ABC2D20E28 (1)
Weight, g/mol:	362.304562
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	0.79
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[2-[4-(4-benzylpiperazin-1-ium-1-yl)butylamino]-2-oxoethyl]-diethylazanium

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1OCCN2CCC[C@@H]2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations