Geometry & MOs

Info

ID:	143607
PubChem CID:	53234900
Reduced:	ON3H11C13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	590.207782
ΔH_f, kcal/mol:	73.49
Dipole, Da:	4.46
IP(EA), eV:	-8.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-amino-3-[3-(morpholine-4-carbonyl)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-(3-fluorophenyl)chromen-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC2=NN3C=C(C=CC3=N2)C4=CC(=CC=C4)NC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations