Geometry & MOs

Info

ID:	352520
PubChem CID:	127283608
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	3.25
IP(EA), eV:	-8.81(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations