Geometry & MOs

Info

ID:	262843
PubChem CID:	103322148
Reduced:	ClOSN3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	283.054611
ΔH_f, kcal/mol:	-22.73
Dipole, Da:	7.33
IP(EA), eV:	-8.78(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol

Drug info:

PubChemData

Smile

CCC(CCO)CNC1=C2C=C(SC2=NC(=N1)Cl)C

DOS

IR

Vibrations