Geometry & MOs

Info

ID:	348569
PubChem CID:	127273680
Reduced:	SO3N7C15H19 (1)
Stoich.:	AB3C7D15E19 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	5.1
IP(EA), eV:	-9.33(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCN2C=NC=N2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations