Geometry & MOs

Info

ID:	267778
PubChem CID:	103589024
Reduced:	BrClN2O3H12C14 (1)
Stoich.:	ABC2D3E12F14 (1)
Weight, g/mol:	355.97721
ΔH_f, kcal/mol:	6.21
Dipole, Da:	6.69
IP(EA), eV:	-9.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromophenoxy)-5-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CNCC1=C(C=C(C=C1)Cl)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations