Geometry & MOs

Info

ID:	356024
PubChem CID:	127291053
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	352.247441
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	5.36
IP(EA), eV:	-9.08(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclohexylamino)-2-oxoethyl]-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)NC3CCCOC3

DOS

IR

Vibrations