Geometry & MOs

Info

ID:	365408
PubChem CID:	127317807
Reduced:	SN3O3C13H23 (1)
Stoich.:	AB3C3D13E23 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	-130.37
Dipole, Da:	5.88
IP(EA), eV:	-8.87(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations