Geometry & MOs

Info

ID:	262905
PubChem CID:	103328926
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	288.115716
ΔH_f, kcal/mol:	38.71
Dipole, Da:	4.06
IP(EA), eV:	-8.42(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(1-methylpyrazol-4-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=C(SC2=N1)C)N3CCOC(C3)C#N

DOS

IR

Vibrations