Geometry & MOs

Info

ID:	148076
PubChem CID:	53787738
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	192.039105
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	7.84
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpiperazin-1-yl)oxymethanedithioic acid

Drug info:

PubChemData

Smile

CCCCC=CCOC1=CC=C(C=C1)C=CC(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

DOS

IR

Vibrations