Geometry & MOs

Info

ID:	359069
PubChem CID:	127297313
Reduced:	NC3H3 (7)
Stoich.:	AB3C3 (7)
Weight, g/mol:	387.238273
ΔH_f, kcal/mol:	145.57
Dipole, Da:	6.6
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)N4CCCC(C4)CN5C=NC=N5)C#N

DOS

IR

Vibrations