Geometry & MOs

Info

ID:	367577
PubChem CID:	127325039
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	3.06
IP(EA), eV:	-9.28(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2,3,3-trimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1CCC(CC1)CC(=O)N2CCOCC2

DOS

IR

Vibrations