Geometry & MOs

Info

ID:	267455
PubChem CID:	103582276
Reduced:	BrClNSO2H9C13 (1)
Stoich.:	ABCDE2F9G13 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	-33.4
Dipole, Da:	3.87
IP(EA), eV:	-9.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-3-chloropyridin-2-yl)-3,5-dimethylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=C(C=C(C=N2)Br)Cl)C(=O)O

DOS

IR

Vibrations