Geometry & MOs

Info

ID:	14213
PubChem CID:	406687
Reduced:	OSN5C14H15 (1)
Stoich.:	ABC5D14E15 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	81.67
Dipole, Da:	1.58
IP(EA), eV:	-8.88(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-butylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-(furan-2-yl)methanimine

Drug info:

PubChemData

Smile

CCCCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CO3

DOS

IR

Vibrations