Geometry & MOs

Info

ID:	287845
PubChem CID:	104296393
Reduced:	BrClON2H10C11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	296.05243
ΔH_f, kcal/mol:	11.42
Dipole, Da:	3.6
IP(EA), eV:	-9.68(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NN=C(O2)CCCl)Br

DOS

IR

Vibrations