Geometry & MOs

Info

ID:	201402
PubChem CID:	79535016
Reduced:	BrN3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	327.02185
ΔH_f, kcal/mol:	26.6
Dipole, Da:	2.14
IP(EA), eV:	-7.91(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-5-nitropyridin-2-yl)piperidin-2-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2CCCN(C2C1)C3=C(C=C(C=N3)N)Br

DOS

IR

Vibrations