Geometry & MOs

Info

ID:	288709
PubChem CID:	104324120
Reduced:	ON7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	297.135638
ΔH_f, kcal/mol:	32.23
Dipole, Da:	4.74
IP(EA), eV:	-9.55(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C3=NC(=NC(=N3)N4C=CN=C4)N)O

DOS

IR

Vibrations