Geometry & MOs

Info

ID:	7728
PubChem CID:	73827
Reduced:	ClO2N4C6H7 (1)
Stoich.:	AB2C4D6E7 (1)
Weight, g/mol:	202.025753
ΔH_f, kcal/mol:	-50.55
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(C(=N1)Cl)N)N

DOS

IR

Vibrations