Geometry & MOs

Info

ID:	133843
PubChem CID:	51599918
Reduced:	ON5C15H26 (1)
Stoich.:	AB5C15D26 (1)
Weight, g/mol:	288.218821
ΔH_f, kcal/mol:	19.0
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753639
Charge, e:	1

Chem-info

IUPAC name:

cyclopentyl-[2-[5-(1,3-dimethylpyrazol-4-yl)imidazol-1-yl]ethyl]-methylazanium

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC(=O)CN2CCC[C@@H](C2)[NH+]3CCCC3

DOS

IR

Vibrations