Geometry & MOs

Info

ID:	265373
PubChem CID:	103518973
Reduced:	BrN3O5C11H12 (1)
Stoich.:	AB3C5D11E12 (1)
Weight, g/mol:	344.99603
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	5.67
IP(EA), eV:	-10.19(-2.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C1COCC1C(=O)O)C2=C(C=NC=C2[N+](=O)[O-])Br

DOS

IR

Vibrations