Geometry & MOs

Info

ID:	288710
PubChem CID:	104324128
Reduced:	ClON5C13H20 (1)
Stoich.:	ABC5D13E20 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	2.15
IP(EA), eV:	-9.24(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-2-ethylpyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)Cl)N2CC3CCC(C3C2)O

DOS

IR

Vibrations