Geometry & MOs

Info

ID:	201401
PubChem CID:	79534987
Reduced:	BrO2N4C8H11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	295.06841
ΔH_f, kcal/mol:	23.33
Dipole, Da:	8.99
IP(EA), eV:	-9.48(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-bromopyridin-3-amine

Drug info:

PubChemData

Smile

CNCCNC1=C(C=C(C=N1)[N+](=O)[O-])Br

DOS

IR

Vibrations