Geometry & MOs

Info

ID:	279591
PubChem CID:	103844407
Reduced:	OSN3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	2.47
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-2-ethylbutan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC(=NS1)C(C)C)CO

DOS

IR

Vibrations