Geometry & MOs

Info

ID:	204684
PubChem CID:	79996856
Reduced:	BrOSN3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	316.0245
ΔH_f, kcal/mol:	31.65
Dipole, Da:	2.29
IP(EA), eV:	-9.33(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=C(O1)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations