Geometry & MOs

Info

ID:	260493
PubChem CID:	103193744
Reduced:	BrN2F3O4H6C11 (1)
Stoich.:	AB2C3D4E6F11 (1)
Weight, g/mol:	349.00376
ΔH_f, kcal/mol:	-284.94
Dipole, Da:	6.03
IP(EA), eV:	-10.19(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-bromo-2-(trifluoromethoxy)phenyl]imidazol-4-yl]ethanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)OC(F)(F)F)N2C(=CC(=O)NC2=O)O

DOS

IR

Vibrations