Geometry & MOs

Info

ID:	179698
PubChem CID:	76520132
Reduced:	ClO4N5C37H42 (1)
Stoich.:	AB4C5D37E42 (1)
Weight, g/mol:	250.01452
ΔH_f, kcal/mol:	-112.51
Dipole, Da:	4.89
IP(EA), eV:	-8.6(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-3-oxo-2H-pyrazine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1CCN(CC2=CC=CC=C2)C(=O)O)CCC(CN3C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC(=CC=C6)Cl

DOS

IR

Vibrations