Geometry & MOs

Info

ID:	267307
PubChem CID:	103581712
Reduced:	BrClSN2O2C12H18 (1)
Stoich.:	ABCD2E2F12G18 (1)
Weight, g/mol:	345.06074
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	4.2
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-chlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC(=C(C=C1)Br)Cl)NS(=O)(=O)C

DOS

IR

Vibrations