Geometry & MOs

Info

ID:	374347
PubChem CID:	131327216
Reduced:	BrNCl2O3H4C8 (1)
Stoich.:	ABC2D3E4F8 (1)
Weight, g/mol:	297.95647
ΔH_f, kcal/mol:	-31.92
Dipole, Da:	3.41
IP(EA), eV:	-10.51(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-4-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)CBr)Cl)Cl

DOS

IR

Vibrations