Geometry & MOs

Info

ID:	250269
PubChem CID:	103095259
Reduced:	ClSN3H6C10 (1)
Stoich.:	ABC3D6E10 (1)
Weight, g/mol:	258.122909
ΔH_f, kcal/mol:	90.55
Dipole, Da:	4.53
IP(EA), eV:	-8.71(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CN2C(=CN=C2C(=C1)Cl)C3=CSC=N3

DOS

IR

Vibrations