Geometry & MOs

Info

ID:	143353
PubChem CID:	53196690
Reduced:	ON9C21H27 (1)
Stoich.:	AB9C21D27 (1)
Weight, g/mol:	424.233522
ΔH_f, kcal/mol:	79.92
Dipole, Da:	6.16
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-ethoxypropyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations