Geometry & MOs

Info

ID:	368559
PubChem CID:	127329462
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-190.34
Dipole, Da:	2.57
IP(EA), eV:	-9.11(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dimethylpiperazin-1-yl)-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)C(=O)CC3CCOCC3

DOS

IR

Vibrations