Geometry & MOs

Info

ID:	129522
PubChem CID:	51072942
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	281.094646
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	1.94
IP(EA), eV:	-8.74(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[(4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations