Geometry & MOs

Info

ID:	267316
PubChem CID:	103581765
Reduced:	BrClNSC11H13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	343.97496
ΔH_f, kcal/mol:	13.63
Dipole, Da:	3.35
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

C1CSCC1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations