Geometry & MOs

Info

ID:	368479
PubChem CID:	127329079
Reduced:	NO3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	351.252192
ΔH_f, kcal/mol:	-207.12
Dipole, Da:	1.48
IP(EA), eV:	-8.9(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1COCCC1OCC(=O)NC2=C(OC3=CC=CC=C32)C(=O)N4CCOCC4

DOS

IR

Vibrations