Geometry & MOs

Info

ID:	357607
PubChem CID:	127294280
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	387.238273
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	5.13
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

DOS

IR

Vibrations