Geometry & MOs

Info

ID:	143354
PubChem CID:	53196707
Reduced:	O2N8C21H28 (1)
Stoich.:	A2B8C21D28 (1)
Weight, g/mol:	458.217872
ΔH_f, kcal/mol:	21.8
Dipole, Da:	2.64
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCNC(=O)CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations