Geometry & MOs

Info

ID:	265389
PubChem CID:	103519297
Reduced:	BrClO2N3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	326.03784
ΔH_f, kcal/mol:	36.16
Dipole, Da:	5.72
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-bromo-5-nitropyridin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC2=C(C=NC=C2[N+](=O)[O-])Br)Cl

DOS

IR

Vibrations