Geometry & MOs

Info

ID:	267760
PubChem CID:	103588659
Reduced:	BrFN2O3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	337.95139
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	1.92
IP(EA), eV:	-10.14(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-5-nitrophenoxy)methyl]-3,3,3-trifluoropropanenitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C#N)F)COC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations