Geometry & MOs

Info

ID:	274065
PubChem CID:	103806828
Reduced:	N2O3C11H22 (1)
Stoich.:	A2B3C11D22 (1)
Weight, g/mol:	314.043
ΔH_f, kcal/mol:	-137.56
Dipole, Da:	3.88
IP(EA), eV:	-8.91(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-fluorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CNCC(N1C(=O)COCCOC)C

DOS

IR

Vibrations