Geometry & MOs

Info

ID:	12211
PubChem CID:	132385
Reduced:	BrN2O6H11C12 (1)
Stoich.:	AB2C6D11E12 (1)
Weight, g/mol:	357.98005
ΔH_f, kcal/mol:	-168.0
Dipole, Da:	6.56
IP(EA), eV:	-10.91(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-3-nitrobenzoic acid;pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC1=O.C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

DOS

IR

Vibrations