Geometry & MOs

Info

ID:	73022
PubChem CID:	48416820
Reduced:	O2N6H10C13 (1)
Stoich.:	A2B6C10D13 (1)
Weight, g/mol:	334.081438
ΔH_f, kcal/mol:	79.12
Dipole, Da:	3.45
IP(EA), eV:	-9.72(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations