Geometry & MOs

Info

ID:	349721
PubChem CID:	127275873
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	385.186238
ΔH_f, kcal/mol:	-6.71
Dipole, Da:	5.24
IP(EA), eV:	-9.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NOC2=C1C=C(C=N2)C(=O)N3CCCC(C3)C4=NOC(=N4)C(C)C

DOS

IR

Vibrations