Geometry & MOs

Info

ID:	358369
PubChem CID:	127295914
Reduced:	BrO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	2.33
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)CNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations