Geometry & MOs

Info

ID:	145540
PubChem CID:	53542183
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	340.144787
ΔH_f, kcal/mol:	-13.97
Dipole, Da:	6.4
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(2-fluorophenoxy)propylamino]pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)CNC2=CC=CC3=C2CN(C3)C(C)C(C)C

DOS

IR

Vibrations