Geometry & MOs

Info

ID:	267331
PubChem CID:	103581854
Reduced:	BrClNOC13H17 (1)
Stoich.:	ABCDE13F17 (1)
Weight, g/mol:	315.94366
ΔH_f, kcal/mol:	-33.12
Dipole, Da:	4.01
IP(EA), eV:	-9.46(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C1COCC1CCNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations