Geometry & MOs

Info

ID:	269119
PubChem CID:	103614647
Reduced:	NOBr2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	340.0245
ΔH_f, kcal/mol:	-2.55
Dipole, Da:	3.47
IP(EA), eV:	-9.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNCC2=CC(=C(C(=C2)Br)O)Br

DOS

IR

Vibrations