Geometry & MOs

Info

ID:	143355
PubChem CID:	53196708
Reduced:	ON4C12H13 (2)
Stoich.:	AB4C12D13 (2)
Weight, g/mol:	446.254258
ΔH_f, kcal/mol:	55.77
Dipole, Da:	5.64
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations