Geometry & MOs

Info

ID:	288614
PubChem CID:	104321382
Reduced:	ClON3C11H14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	307.094836
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	6.26
IP(EA), eV:	-9.2(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-6-(1,2,4-triazol-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

C1CC(C2C1CN(C2)C3=CC(=NC=N3)Cl)O

DOS

IR

Vibrations