Geometry & MOs

Info

ID:	356128
PubChem CID:	127291164
Reduced:	N3O3C13H23 (1)
Stoich.:	A3B3C13D23 (1)
Weight, g/mol:	352.247441
ΔH_f, kcal/mol:	-150.39
Dipole, Da:	2.45
IP(EA), eV:	-9.4(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NC2CCCOC2

DOS

IR

Vibrations