Geometry & MOs

Info

ID:	284032
PubChem CID:	104028727
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	367.99834
ΔH_f, kcal/mol:	-18.38
Dipole, Da:	5.56
IP(EA), eV:	-9.77(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations