Geometry & MOs

Info

ID:	265366
PubChem CID:	103518867
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	329.00112
ΔH_f, kcal/mol:	-59.71
Dipole, Da:	2.98
IP(EA), eV:	-9.78(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-nitropyridin-4-yl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=C(C=NC=C2[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations