Geometry & MOs

Info

ID:	57792
PubChem CID:	24277388
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	304.099397
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	6.92
IP(EA), eV:	-9.05(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylpiperazin-1-yl)-6-thiophen-2-ylpyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=CC(=N1)C(=O)O)C2=CC=CS2

DOS

IR

Vibrations