Geometry & MOs

Info

ID:	359013
PubChem CID:	127297257
Reduced:	O3N4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	-151.14
Dipole, Da:	10.99
IP(EA), eV:	-8.9(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylpiperazin-1-yl)-2-[1-(2H-triazole-4-carbonyl)piperidin-4-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3CCC(=O)N3

DOS

IR

Vibrations