Geometry & MOs

Info

ID:	284034
PubChem CID:	104029000
Reduced:	BrF2N2O3H7C13 (1)
Stoich.:	AB2C2D3E7F13 (1)
Weight, g/mol:	358.05282
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	4.43
IP(EA), eV:	-9.49(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-hydroxyethyl)-3-nitro-N-pentan-3-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)[N+](=O)[O-])Br)C(=O)NC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations