Geometry & MOs

Info

ID:	183118
PubChem CID:	76980914
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	292.051778
ΔH_f, kcal/mol:	-116.6
Dipole, Da:	4.75
IP(EA), eV:	-9.72(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[5-[(4-methyl-2,3-dioxopyrazine-1,4-diium-1-yl)methyl]thiophen-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1CCN(C(=O)C1=O)CC2=CC=CC=C2C=CC(=O)O

DOS

IR

Vibrations