Geometry & MOs

Info

ID:	372546
PubChem CID:	131299550
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	334.90664
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	5.47
IP(EA), eV:	-9.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-3-iodo-4-nitro-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=C(C=CC(=C1)[N+](=O)[O-])Br)N

DOS

IR

Vibrations