Geometry & MOs

Info

ID:	267297
PubChem CID:	103581692
Reduced:	BrClON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	329.95931
ΔH_f, kcal/mol:	-27.16
Dipole, Da:	7.39
IP(EA), eV:	-9.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NCC1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations