Geometry & MOs

Info

ID:	143356
PubChem CID:	53196709
Reduced:	ON8C24H30 (1)
Stoich.:	AB8C24D30 (1)
Weight, g/mol:	450.172814
ΔH_f, kcal/mol:	69.64
Dipole, Da:	7.21
IP(EA), eV:	-8.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2C3=C(C=N2)C(=NC=N3)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations