Geometry & MOs

Info

ID:	288708
PubChem CID:	104324109
Reduced:	ClON5C12H18 (1)
Stoich.:	ABC5D12E18 (1)
Weight, g/mol:	287.149458
ΔH_f, kcal/mol:	-21.51
Dipole, Da:	6.8
IP(EA), eV:	-9.23(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)N2CC3CCC(C3C2)O

DOS

IR

Vibrations