Geometry & MOs

Info

ID:	348579
PubChem CID:	127273690
Reduced:	ON6C15H26 (1)
Stoich.:	AB6C15D26 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	7.09
Dipole, Da:	3.4
IP(EA), eV:	-9.18(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCCN(CC2)CCN3C=NC=N3

DOS

IR

Vibrations