Geometry & MOs

Info

ID:	265372
PubChem CID:	103518972
Reduced:	BrN3O4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	344.99603
ΔH_f, kcal/mol:	-69.41
Dipole, Da:	7.13
IP(EA), eV:	-9.96(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-bromo-5-nitropyridin-4-yl)-methylamino]oxolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC1C(=O)O)NC2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations