Geometry & MOs

Info

ID:	54450
PubChem CID:	17388698
Reduced:	ClN2O5C10H13 (1)
Stoich.:	AB2C5D10E13 (1)
Weight, g/mol:	428.02711
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	8.32
IP(EA), eV:	-10.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone;1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane

Drug info:

PubChemData

Smile

CC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)(C(=O)O)N.Cl

DOS

IR

Vibrations