Geometry & MOs

Info

ID:	146643
PubChem CID:	53722848
Reduced:	N3O5C7H7 (1)
Stoich.:	A3B5C7D7 (1)
Weight, g/mol:	181.048741
ΔH_f, kcal/mol:	-147.74
Dipole, Da:	3.15
IP(EA), eV:	-9.49(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylcarbamoyl)pyrazine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(NC(=C(NN)O)C(=O)C1=O)C(=O)O

DOS

IR

Vibrations