Geometry & MOs

Info

ID:	265369
PubChem CID:	103518897
Reduced:	BrN3O4C9H10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	343.01677
ΔH_f, kcal/mol:	-57.27
Dipole, Da:	5.08
IP(EA), eV:	-10.34(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-bromo-5-nitropyridin-4-yl)piperidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)O)C1=C(C=NC=C1[N+](=O)[O-])Br

DOS

IR

Vibrations