Geometry & MOs

Info

ID:	360402
PubChem CID:	127301047
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	355.175673
ΔH_f, kcal/mol:	-45.55
Dipole, Da:	2.68
IP(EA), eV:	-9.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations