Geometry & MOs

Info

ID:	262942
PubChem CID:	103330346
Reduced:	OSN4C11H16 (1)
Stoich.:	ABC4D11E16 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	-5.41
Dipole, Da:	4.03
IP(EA), eV:	-8.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclobutan-1-ol

Drug info:

PubChemData

Smile

CC(CCN(C)C1=C2C=CSC2=NC(=N1)N)O

DOS

IR

Vibrations