Geometry & MOs

Info

ID:	32387
PubChem CID:	7744350
Reduced:	S2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	4.58
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C3SCCS3)OC

DOS

IR

Vibrations