Geometry & MOs

Info

ID:	259385
PubChem CID:	103164944
Reduced:	ON2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-60.46
Dipole, Da:	3.81
IP(EA), eV:	-9.57(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpiperazin-1-yl)-2-(3-ethoxycyclobutyl)ethanone

Drug info:

PubChemData

Smile

CC(CN)NC(=O)CC1CCC1

DOS

IR

Vibrations