Geometry & MOs

Info

ID:	347048
PubChem CID:	127271552
Reduced:	SO3N7C16H29 (1)
Stoich.:	AB3C7D16E29 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	8.28
IP(EA), eV:	-9.57(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations