Geometry & MOs

Info

ID:	351674
PubChem CID:	127280761
Reduced:	O3N4C19H34 (1)
Stoich.:	A3B4C19D34 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-164.0
Dipole, Da:	3.8
IP(EA), eV:	-8.98(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)CC(=O)NC3CCOCC3

DOS

IR

Vibrations