Geometry & MOs

Info

ID:	343439
PubChem CID:	127266612
Reduced:	BrFN2O3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	342.02152
ΔH_f, kcal/mol:	-62.46
Dipole, Da:	2.26
IP(EA), eV:	-10.08(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3-nitrophenyl)-1-(1,4-oxazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CC(=C1)F)C(=O)CC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations