Geometry & MOs

Info

ID:	351331
PubChem CID:	127280219
Reduced:	O3N4C20H30 (1)
Stoich.:	A3B4C20D30 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-122.94
Dipole, Da:	4.2
IP(EA), eV:	-9.01(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-[2-(2-oxoazepan-1-yl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CN2CCN(CC2)C(=O)CN3C=CC=CC3=O

DOS

IR

Vibrations