Geometry & MOs

Info

ID:	73021
PubChem CID:	48416819
Reduced:	ON3H6C9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	282.086524
ΔH_f, kcal/mol:	114.6
Dipole, Da:	3.28
IP(EA), eV:	-9.71(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations