Geometry & MOs

Info

ID:	376433
PubChem CID:	134222446
Reduced:	F2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	580.291037
ΔH_f, kcal/mol:	-58.9
Dipole, Da:	3.61
IP(EA), eV:	-8.87(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]-2-(5-tert-butyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=CC(=C2)CC3=CC(=C(C=C3)F)F)C=C1

DOS

IR

Vibrations