Geometry & MOs

Info

ID:	252942
PubChem CID:	103115044
Reduced:	ClN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	7.42
IP(EA), eV:	-10.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2-methyl-3-nitrophenyl)methylamino]pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCN1C(=C(N=N1)C(=O)O)CC2=CC=CC=C2Cl)O

DOS

IR

Vibrations