Geometry & MOs

Info

ID:	276732
PubChem CID:	103824840
Reduced:	ON4C11H18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	226.088832
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	3.41
IP(EA), eV:	-9.7(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylsulfanylcyclopentyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)C(=O)C2=NC=NN2

DOS

IR

Vibrations