Geometry & MOs

Info

ID:	171822
PubChem CID:	75431247
Reduced:	SF3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-81.6
Dipole, Da:	5.55
IP(EA), eV:	-9.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-methoxyphenyl)-2-methylpropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)N(C)CC2=CN(N=C2C(F)(F)F)C

DOS

IR

Vibrations