Geometry & MOs

Info

ID:	284987
PubChem CID:	104088253
Reduced:	OSN7C10H15 (1)
Stoich.:	ABC7D10E15 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	52.58
Dipole, Da:	5.65
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-cyclopropylpyrimidin-4-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SC(C)CO)N2C=NC=N2

DOS

IR

Vibrations