Geometry & MOs

Info

ID:	265371
PubChem CID:	103518909
Reduced:	BrClN3O4H7C12 (1)
Stoich.:	ABC3D4E7F12 (1)
Weight, g/mol:	329.00112
ΔH_f, kcal/mol:	-35.45
Dipole, Da:	2.32
IP(EA), eV:	-10.04(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-bromo-5-nitropyridin-4-yl)amino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=C(C=NC=C2[N+](=O)[O-])Br)Cl)C(=O)O

DOS

IR

Vibrations