Geometry & MOs

Info

ID:	297035
PubChem CID:	117606704
Reduced:	ClFO2N4C20H26 (1)
Stoich.:	ABC2D4E20F26 (1)
Weight, g/mol:	338.149124
ΔH_f, kcal/mol:	-84.39
Dipole, Da:	4.81
IP(EA), eV:	-8.21(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=CN=C(C=C2)N(C)C)F)N[C@H](C)CNC=O

DOS

IR

Vibrations