Geometry & MOs

Info

ID:	366061
PubChem CID:	127319384
Reduced:	SN6C17H22 (1)
Stoich.:	AB6C17D22 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	99.43
Dipole, Da:	4.54
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(oxan-4-ylmethylsulfanyl)pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1CCSC3=NN=NN3C4CCCCC4

DOS

IR

Vibrations