Geometry & MOs

Info

ID:	277109
PubChem CID:	103826765
Reduced:	BrClON2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	357.95422
ΔH_f, kcal/mol:	-2.44
Dipole, Da:	3.92
IP(EA), eV:	-8.98(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)C3=CC(=CC(=C3)Br)Cl

DOS

IR

Vibrations