Geometry & MOs

Info

ID:	370356
PubChem CID:	127338219
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	281.210327
ΔH_f, kcal/mol:	-103.48
Dipole, Da:	3.77
IP(EA), eV:	-8.92(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetylpiperazin-1-yl)-1-(azepan-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCCC1)N2CCOCC2

DOS

IR

Vibrations