Geometry & MOs

Info

ID:	30231
PubChem CID:	840852
Reduced:	N3O3H11C12 (1)
Stoich.:	A3B3C11D12 (1)
Weight, g/mol:	290.068287
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	3.95
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(3-chloro-4-methylphenyl)-6-N-methyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=NNC(=O)C2=CC(=CC(=C2)O)O

DOS

IR

Vibrations